N-benzylsulfanyl-2-(3-methylphenyl)acetamide

C16H17NOS — CID 163705026

IUPACN-benzylsulfanyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NSCc2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-13-6-5-9-15(10-13)11-16(18)17-19-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyKEIDCNJBKJOFRJ-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.50
Rot. Bonds5

About N-benzylsulfanyl-2-(3-methylphenyl)acetamide

N-benzylsulfanyl-2-(3-methylphenyl)acetamide (PubChem CID 163705026) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-benzylsulfanyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzylsulfanyl-2-(3-methylphenyl)acetamide
PubChem CID163705026
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-benzylsulfanyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NSCc2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-13-6-5-9-15(10-13)11-16(18)17-19-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyKEIDCNJBKJOFRJ-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
(2R)-2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906532
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 62389198
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 65261339
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
azanium 2-(3-methylphenyl)acetate
CID 141323779

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfanyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-benzylsulfanyl-2-(3-methylphenyl)acetamide (CID 163705026) is N-benzylsulfanyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-benzylsulfanyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-benzylsulfanyl-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NSCc2ccccc2)c1.
What is the InChIKey of N-benzylsulfanyl-2-(3-methylphenyl)acetamide?
The InChIKey is KEIDCNJBKJOFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-6-5-9-15(10-13)11-16(18)17-19-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzylsulfanyl-2-(3-methylphenyl)acetamide?
N-benzylsulfanyl-2-(3-methylphenyl)acetamide has a molecular weight of 271.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfanyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 163705026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).