3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide

C12H18N2O3S — CID 47028252

IUPAC3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-3-5-11(6-4-10)9-13-12(15)7-8-14-18(2,16)17/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyXAWFROPYRWBFPG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.55
Rot. Bonds6

About 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide

3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 47028252) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID47028252
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-3-5-11(6-4-10)9-13-12(15)7-8-14-18(2,16)17/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyXAWFROPYRWBFPG-UHFFFAOYSA-N
XLogP0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide (CID 47028252) is 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is XAWFROPYRWBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-3-5-11(6-4-10)9-13-12(15)7-8-14-18(2,16)17/h3-6,14H,7-9H2,1-2H3,(H,13,15).
What are the key properties of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide?
3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 270.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 47028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).