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

C14H20N2O3S — CID 113136334

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)15-14(17)8-9-16(13-6-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17)
InChIKeyHINALKRGIMLRRA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.75
Rot. Bonds6

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

3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 113136334) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
PubChem CID113136334
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)15-14(17)8-9-16(13-6-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17)
InChIKeyHINALKRGIMLRRA-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide (CID 113136334) is 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is HINALKRGIMLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)15-14(17)8-9-16(13-6-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.75, 6 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)propanamide is sourced from PubChem (CID 113136334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).