2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C23H23NOS — CID 93487345

IUPAC2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NOS/c1-18-10-8-9-15-21(18)23(20-13-6-3-7-14-20)24-22(25)17-26-16-19-11-4-2-5-12-19/h2-15,23H,16-17H2,1H3,(H,24,25)/t23-/m1/s1
InChIKeyMPFDXDXNINAQOH-HSZRJFAPSA-N
MW361.51 g/mol
LogP5.13
Rot. Bonds7

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

2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 93487345) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID93487345
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC Name2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NOS/c1-18-10-8-9-15-21(18)23(20-13-6-3-7-14-20)24-22(25)17-26-16-19-11-4-2-5-12-19/h2-15,23H,16-17H2,1H3,(H,24,25)/t23-/m1/s1
InChIKeyMPFDXDXNINAQOH-HSZRJFAPSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 94018618
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134029390
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 93487345) is 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1[C@H](NC(=O)CSCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is MPFDXDXNINAQOH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23NOS/c1-18-10-8-9-15-21(18)23(20-13-6-3-7-14-20)24-22(25)17-26-16-19-11-4-2-5-12-19/h2-15,23H,16-17H2,1H3,(H,24,25)/t23-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 361.51 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 93487345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).