N-benzyl-4-(methylsulfanylmethyl)benzamide

C16H17NOS — CID 2542193

IUPACN-benzyl-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-19-12-14-7-9-15(10-8-14)16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyJIZVAGALBMQZKF-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-4-(methylsulfanylmethyl)benzamide

N-benzyl-4-(methylsulfanylmethyl)benzamide (PubChem CID 2542193) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzyl-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(methylsulfanylmethyl)benzamide
PubChem CID2542193
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-19-12-14-7-9-15(10-8-14)16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyJIZVAGALBMQZKF-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 8944114
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 43239271
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 9479963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-benzyl-4-(methylsulfanylmethyl)benzamide (CID 2542193) is N-benzyl-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(methylsulfanylmethyl)benzamide?
The InChIKey is JIZVAGALBMQZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-19-12-14-7-9-15(10-8-14)16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-4-(methylsulfanylmethyl)benzamide?
N-benzyl-4-(methylsulfanylmethyl)benzamide has a molecular weight of 271.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 2542193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).