N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide

C18H14F3NO2S2 — CID 99882696

IUPACN-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2S2/c19-18(20,21)13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(26-14)16(23)12-7-8-25-10-12/h1-8,10,16,23H,9H2,(H,22,24)/t16-/m0/s1
InChIKeyDTXXMAIXMGAWSQ-INIZCTEOSA-N
MW397.44 g/mol
LogP4.84
Rot. Bonds5

About N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 99882696) has the molecular formula C18H14F3NO2S2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID99882696
Molecular FormulaC18H14F3NO2S2
Molecular Weight397.44 g/mol
Exact Mass397.04
IUPAC NameN-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2S2/c19-18(20,21)13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(26-14)16(23)12-7-8-25-10-12/h1-8,10,16,23H,9H2,(H,22,24)/t16-/m0/s1
InChIKeyDTXXMAIXMGAWSQ-INIZCTEOSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
CID 25023803
4-[2-[(3-Methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 43233742
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
5-chloro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}thiophene-2-carboxamide
CID 56765438
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzamide
CID 71787829
N-((5-(thiophene-2-carbonyl)thiophen-2-yl)methyl)-3-(trifluoromethyl)benzamide
CID 71803363

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide (CID 99882696) is N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is DTXXMAIXMGAWSQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14F3NO2S2/c19-18(20,21)13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(26-14)16(23)12-7-8-25-10-12/h1-8,10,16,23H,9H2,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 397.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 99882696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).