N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide

C24H26ClNOS — CID 2402599

IUPACN-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(C)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1
InChIInChI=1S/C24H26ClNOS/c1-17(2)20-8-10-21(11-9-20)24(27)26(16-19-6-12-22(25)13-7-19)18(3)15-23-5-4-14-28-23/h4-14,17-18H,15-16H2,1-3H3/t18-/m0/s1
InChIKeyWFCBJHBEEYVMRC-SFHVURJKSA-N
MW412.00 g/mol
LogP6.80
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide

N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 2402599) has the molecular formula C24H26ClNOS and a molecular weight of 412.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID2402599
Molecular FormulaC24H26ClNOS
Molecular Weight412.00 g/mol
Exact Mass411.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(C)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1
InChIInChI=1S/C24H26ClNOS/c1-17(2)20-8-10-21(11-9-20)24(27)26(16-19-6-12-22(25)13-7-19)18(3)15-23-5-4-14-28-23/h4-14,17-18H,15-16H2,1-3H3/t18-/m0/s1
InChIKeyWFCBJHBEEYVMRC-SFHVURJKSA-N
XLogP6.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.00
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 4830873
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
CID 24795367
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
CID 47027380
N-[(4-methoxyphenyl)methyl]-3-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42907866
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
[2-fluoro-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79489167

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 2402599) is N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide is CC(C)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is WFCBJHBEEYVMRC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26ClNOS/c1-17(2)20-8-10-21(11-9-20)24(27)26(16-19-6-12-22(25)13-7-19)18(3)15-23-5-4-14-28-23/h4-14,17-18H,15-16H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide?
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 412.00 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 2402599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).