N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide

C14H19ClN2O3S — CID 113136363

IUPACN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-11(15)3-6-13(10)16-14(18)7-8-17(12-4-5-12)21(2,19)20/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeySJTZGCLOAMESKR-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.40
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide

N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136363) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
PubChem CID113136363
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-11(15)3-6-13(10)16-14(18)7-8-17(12-4-5-12)21(2,19)20/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeySJTZGCLOAMESKR-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide (CID 113136363) is N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide is Cc1cc(Cl)ccc1NC(=O)CCN(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The InChIKey is SJTZGCLOAMESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-9-11(15)3-6-13(10)16-14(18)7-8-17(12-4-5-12)21(2,19)20/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide has a molecular weight of 330.84 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).