(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide

C20H24ClNOS — CID 92684645

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H24ClNOS/c1-3-19(24-18-13-11-17(21)12-14-18)20(23)22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15,19H,3,9-10H2,1-2H3,(H,22,23)/t15-,19+/m1/s1
InChIKeyNEECEUJQQHCPMD-BEFAXECRSA-N
MW361.94 g/mol
LogP5.35
Rot. Bonds8

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide (PubChem CID 92684645) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
PubChem CID92684645
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H24ClNOS/c1-3-19(24-18-13-11-17(21)12-14-18)20(23)22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15,19H,3,9-10H2,1-2H3,(H,22,23)/t15-,19+/m1/s1
InChIKeyNEECEUJQQHCPMD-BEFAXECRSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132656771
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide (CID 92684645) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The InChIKey is NEECEUJQQHCPMD-BEFAXECRSA-N. The full InChI is InChI=1S/C20H24ClNOS/c1-3-19(24-18-13-11-17(21)12-14-18)20(23)22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15,19H,3,9-10H2,1-2H3,(H,22,23)/t15-,19+/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide has a molecular weight of 361.94 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 92684645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).