5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide

C21H20ClNOS — CID 92762194

IUPAC5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C21H20ClNOS/c1-15(10-11-16-6-3-2-4-7-16)23-21(24)20-13-12-19(25-20)17-8-5-9-18(22)14-17/h2-9,12-15H,10-11H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyBSKQMLJDZAIRJJ-HNNXBMFYSA-N
MW369.92 g/mol
LogP5.82
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide

5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 92762194) has the molecular formula C21H20ClNOS and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
PubChem CID92762194
Molecular FormulaC21H20ClNOS
Molecular Weight369.92 g/mol
Exact Mass369.10
IUPAC Name5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C21H20ClNOS/c1-15(10-11-16-6-3-2-4-7-16)23-21(24)20-13-12-19(25-20)17-8-5-9-18(22)14-17/h2-9,12-15H,10-11H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyBSKQMLJDZAIRJJ-HNNXBMFYSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.92
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 24658856
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 6241128
4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256134

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide (CID 92762194) is 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide?
The InChIKey is BSKQMLJDZAIRJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClNOS/c1-15(10-11-16-6-3-2-4-7-16)23-21(24)20-13-12-19(25-20)17-8-5-9-18(22)14-17/h2-9,12-15H,10-11H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide?
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).