3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide

C15H22N2O3S — CID 113136268

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-12-4-3-5-13(10-12)11-16-15(18)8-9-17(14-6-7-14)21(2,19)20/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyZFRWKICNRMJNJJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.43
Rot. Bonds7

About 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113136268) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113136268
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-12-4-3-5-13(10-12)11-16-15(18)8-9-17(14-6-7-14)21(2,19)20/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyZFRWKICNRMJNJJ-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121597
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide (CID 113136268) is 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCN(C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is ZFRWKICNRMJNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-4-3-5-13(10-12)11-16-15(18)8-9-17(14-6-7-14)21(2,19)20/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113136268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).