N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C23H19F3N2O2S — CID 59761513

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H19F3N2O2S/c1-13-2-3-15(21(29)27-17-8-9-17)12-18(13)28-22(30)20-11-10-19(31-20)14-4-6-16(7-5-14)23(24,25)26/h2-7,10-12,17H,8-9H2,1H3,(H,27,29)(H,28,30)
InChIKeyRLUQRPRROMYGSX-UHFFFAOYSA-N
MW444.48 g/mol
LogP5.89
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 59761513) has the molecular formula C23H19F3N2O2S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID59761513
Molecular FormulaC23H19F3N2O2S
Molecular Weight444.48 g/mol
Exact Mass444.11
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H19F3N2O2S/c1-13-2-3-15(21(29)27-17-8-9-17)12-18(13)28-22(30)20-11-10-19(31-20)14-4-6-16(7-5-14)23(24,25)26/h2-7,10-12,17H,8-9H2,1H3,(H,27,29)(H,28,30)
InChIKeyRLUQRPRROMYGSX-UHFFFAOYSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
CID 155801622
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
SARS-CoV-2 PLpro Inhibitor, 74
CID 156907318
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 59761513) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RLUQRPRROMYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2S/c1-13-2-3-15(21(29)27-17-8-9-17)12-18(13)28-22(30)20-11-10-19(31-20)14-4-6-16(7-5-14)23(24,25)26/h2-7,10-12,17H,8-9H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59761513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).