4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide

C16H18N2O3S — CID 875239

IUPAC4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)14-8-10-15(11-9-14)18(22(2,20)21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyLLZAZVYLGFNWDN-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.01
Rot. Bonds5

About 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide

4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide (PubChem CID 875239) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide
PubChem CID875239
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)14-8-10-15(11-9-14)18(22(2,20)21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyLLZAZVYLGFNWDN-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide (CID 875239) is 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide?
The InChIKey is LLZAZVYLGFNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17-16(19)14-8-10-15(11-9-14)18(22(2,20)21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide?
4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide is sourced from PubChem (CID 875239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).