(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide

C24H24ClNOS — CID 92682333

IUPAC(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24ClNOS/c1-2-23(28-22-15-13-21(25)14-16-22)24(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3/t23-/m0/s1
InChIKeyPRHQDKGWVBHQCK-QHCPKHFHSA-N
MW409.98 g/mol
LogP6.44
Rot. Bonds8

About (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide

(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 92682333) has the molecular formula C24H24ClNOS and a molecular weight of 409.98 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID92682333
Molecular FormulaC24H24ClNOS
Molecular Weight409.98 g/mol
Exact Mass409.13
IUPAC Name(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24ClNOS/c1-2-23(28-22-15-13-21(25)14-16-22)24(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3/t23-/m0/s1
InChIKeyPRHQDKGWVBHQCK-QHCPKHFHSA-N
XLogP6.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.98
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
methyl 2-[benzyl-[2-(4-chlorophenyl)sulfanylpropanoyl]amino]acetate
CID 55817074
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
CID 3933523
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
N,N-dibenzyl-2-(2-phenylethylamino)butanamide
CID 164667444
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 28571529

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide (CID 92682333) is (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is PRHQDKGWVBHQCK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24ClNOS/c1-2-23(28-22-15-13-21(25)14-16-22)24(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide?
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 409.98 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 92682333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).