N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide

C127H105F9N10O10S5 — CID 157288085

IUPACN-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESC#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@@H](C)c1ccccc1.C#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@H](C)c1ccccc1.C#CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)c1cccs1.O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H21F3N2O2S.C28H25F3N2O2S.2C24H22N2O2S.C22H15F3N2O2S/c30-29(31,32)23-13-7-14-24(19-23)34(26(35)17-16-21-9-3-1-4-10-21)27(25-15-8-18-37-25)28(36)33-20-22-11-5-2-6-12-22;29-28(30,31)21-14-16-23(17-15-21)33(25(34)18-13-20-8-3-1-4-9-20)26(24-12-7-19-36-24)27(35)32-22-10-5-2-6-11-22;2*1-3-22(27)26(18(2)20-13-8-5-9-14-20)23(21-15-10-16-29-21)24(28)25-17-19-11-6-4-7-12-19;1-2-19(28)27(17-12-10-15(11-13-17)22(23,24)25)20(18-9-6-14-30-18)21(29)26-16-7-4-3-5-8-16/h1-15,18-19,27H,20H2,(H,33,36);1,3-4,7-9,12,14-17,19,22,26H,2,5-6,10-11H2,(H,32,35);2*1,4-16,18,23H,17H2,2H3,(H,25,28);1,3-14,20H,(H,26,29)/t;;2*18-,23?;/m..10./s1
InChIKeyBAMBAHLJFSFYID-KOPREASDSA-N
MW2262.61 g/mol
LogP26.32
Rot. Bonds30

About N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide

N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide (PubChem CID 157288085) has the molecular formula C127H105F9N10O10S5 and a molecular weight of 2262.61 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
PubChem CID157288085
Molecular FormulaC127H105F9N10O10S5
Molecular Weight2262.61 g/mol
Exact Mass2260.65
IUPAC NameN-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESC#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@@H](C)c1ccccc1.C#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@H](C)c1ccccc1.C#CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)c1cccs1.O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H21F3N2O2S.C28H25F3N2O2S.2C24H22N2O2S.C22H15F3N2O2S/c30-29(31,32)23-13-7-14-24(19-23)34(26(35)17-16-21-9-3-1-4-10-21)27(25-15-8-18-37-25)28(36)33-20-22-11-5-2-6-12-22;29-28(30,31)21-14-16-23(17-15-21)33(25(34)18-13-20-8-3-1-4-9-20)26(24-12-7-19-36-24)27(35)32-22-10-5-2-6-11-22;2*1-3-22(27)26(18(2)20-13-8-5-9-14-20)23(21-15-10-16-29-21)24(28)25-17-19-11-6-4-7-12-19;1-2-19(28)27(17-12-10-15(11-13-17)22(23,24)25)20(18-9-6-14-30-18)21(29)26-16-7-4-3-5-8-16/h1-15,18-19,27H,20H2,(H,33,36);1,3-4,7-9,12,14-17,19,22,26H,2,5-6,10-11H2,(H,32,35);2*1,4-16,18,23H,17H2,2H3,(H,25,28);1,3-14,20H,(H,26,29)/t;;2*18-,23?;/m..10./s1
InChIKeyBAMBAHLJFSFYID-KOPREASDSA-N
XLogP26.32
TPSA247.05 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002262.61
LogP ≤ 526.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(2,2,2-trifluoroethyl)phenyl]prop-2-ynamide
CID 45107396
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546043
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241186
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-difluorophenyl)prop-2-ynamide
CID 45107430
N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546045
N-[2-(cyclohexylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241176
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-nitrosophenyl)prop-2-ynamide
CID 88945967
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1083904
N-(2-amino-2-oxo-1-thiophen-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44547682
N-[2-(cyclohexylamino)-1-(2-nitrophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 45100657
N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
CID 174251114
N-[1-(2-chloro-4-fluorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241204

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The IUPAC name of N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide (CID 157288085) is N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide is C#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@@H](C)c1ccccc1.C#CC(=O)N(C(C(=O)NCc1ccccc1)c1cccs1)[C@H](C)c1ccccc1.C#CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)c1cccs1.O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)C#Cc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
The InChIKey is BAMBAHLJFSFYID-KOPREASDSA-N. The full InChI is InChI=1S/C29H21F3N2O2S.C28H25F3N2O2S.2C24H22N2O2S.C22H15F3N2O2S/c30-29(31,32)23-13-7-14-24(19-23)34(26(35)17-16-21-9-3-1-4-10-21)27(25-15-8-18-37-25)28(36)33-20-22-11-5-2-6-12-22;29-28(30,31)21-14-16-23(17-15-21)33(25(34)18-13-20-8-3-1-4-9-20)26(24-12-7-19-36-24)27(35)32-22-10-5-2-6-11-22;2*1-3-22(27)26(18(2)20-13-8-5-9-14-20)23(21-15-10-16-29-21)24(28)25-17-19-11-6-4-7-12-19;1-2-19(28)27(17-12-10-15(11-13-17)22(23,24)25)20(18-9-6-14-30-18)21(29)26-16-7-4-3-5-8-16/h1-15,18-19,27H,20H2,(H,33,36);1,3-4,7-9,12,14-17,19,22,26H,2,5-6,10-11H2,(H,32,35);2*1,4-16,18,23H,17H2,2H3,(H,25,28);1,3-14,20H,(H,26,29)/t;;2*18-,23?;/m..10./s1.
What are the key properties of N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide?
N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide has a molecular weight of 2262.61 g/mol, XLogP of 26.32, 30 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1R)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[(1S)-1-phenylethyl]prop-2-ynamide;N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide is sourced from PubChem (CID 157288085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).