(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

C24H25NOS — CID 38003625

IUPAC(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)[C@H](C)SCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-18-13-15-22(16-14-18)23(21-11-7-4-8-12-21)25-24(26)19(2)27-17-20-9-5-3-6-10-20/h3-16,19,23H,17H2,1-2H3,(H,25,26)/t19-,23-/m0/s1
InChIKeyKBEGFSOAHPEFDU-CVDCTZTESA-N
MW375.54 g/mol
LogP5.52
Rot. Bonds7

About (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 38003625) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID38003625
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)[C@H](C)SCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-18-13-15-22(16-14-18)23(21-11-7-4-8-12-21)25-24(26)19(2)27-17-20-9-5-3-6-10-20/h3-16,19,23H,17H2,1-2H3,(H,25,26)/t19-,23-/m0/s1
InChIKeyKBEGFSOAHPEFDU-CVDCTZTESA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93488322
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
(2S)-2-benzylsulfanyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 51958369
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
(2R)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94015865
methyl (2S)-2-benzylsulfanyl-2-(4-methylphenyl)acetate
CID 139042093
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-benzylsulfanyl-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133200276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (CID 38003625) is (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc([C@@H](NC(=O)[C@H](C)SCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is KBEGFSOAHPEFDU-CVDCTZTESA-N. The full InChI is InChI=1S/C24H25NOS/c1-18-13-15-22(16-14-18)23(21-11-7-4-8-12-21)25-24(26)19(2)27-17-20-9-5-3-6-10-20/h3-16,19,23H,17H2,1-2H3,(H,25,26)/t19-,23-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 375.54 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 38003625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).