(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide

C24H25NOS — CID 167593912

IUPAC(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
SMILESCC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-2-21(17-19-9-5-3-6-10-19)24(26)25-22-13-15-23(16-14-22)27-18-20-11-7-4-8-12-20/h3-16,21H,2,17-18H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyBAUMLOAHROHMFC-NRFANRHFSA-N
MW375.54 g/mol
LogP6.19
Rot. Bonds8

About (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide

(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide (PubChem CID 167593912) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
PubChem CID167593912
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
SMILESCC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-2-21(17-19-9-5-3-6-10-19)24(26)25-22-13-15-23(16-14-22)27-18-20-11-7-4-8-12-20/h3-16,21H,2,17-18H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyBAUMLOAHROHMFC-NRFANRHFSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
CID 167600345
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
2-(4-tert-butylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 132670053
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
alumane;3-benzylpentan-2-one
CID 174773852
CID 163877038
CID 163877038
(2S)-N-(4-benzylsulfanylphenyl)-2-[(4-fluorophenyl)methoxy]-3-phenylpropanamide;(2S)-2-[(4-fluorophenyl)methoxy]-3-phenylpropanoic acid;4-methylaniline
CID 167709414
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide?
The IUPAC name of (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide (CID 167593912) is (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide.
What is the SMILES notation for (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide?
The canonical SMILES for (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide is CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide?
The InChIKey is BAUMLOAHROHMFC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25NOS/c1-2-21(17-19-9-5-3-6-10-19)24(26)25-22-13-15-23(16-14-22)27-18-20-11-7-4-8-12-20/h3-16,21H,2,17-18H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide?
(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide has a molecular weight of 375.54 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide is sourced from PubChem (CID 167593912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).