2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

C24H25NOS — CID 28633748

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NOS/c1-18-8-12-20(13-9-18)16-27-17-23(26)25-24(21-6-4-3-5-7-21)22-14-10-19(2)11-15-22/h3-15,24H,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyXWBKSSSFNAOWQZ-XMMPIXPASA-N
MW375.54 g/mol
LogP5.44
Rot. Bonds7

About 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 28633748) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID28633748
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NOS/c1-18-8-12-20(13-9-18)16-27-17-23(26)25-24(21-6-4-3-5-7-21)22-14-10-19(2)11-15-22/h3-15,24H,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyXWBKSSSFNAOWQZ-XMMPIXPASA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanedioic acid
CID 78910243
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43387373
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
(2S,3R)-3-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 104964864
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (CID 28633748) is 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is XWBKSSSFNAOWQZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25NOS/c1-18-8-12-20(13-9-18)16-27-17-23(26)25-24(21-6-4-3-5-7-21)22-14-10-19(2)11-15-22/h3-15,24H,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 375.54 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 28633748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).