N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide

C15H21ClN2O3S — CID 113136366

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C2CC2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-10-8-11(2)15(13(16)9-10)17-14(19)6-7-18(12-4-5-12)22(3,20)21/h8-9,12H,4-7H2,1-3H3,(H,17,19)
InChIKeyCIWLGTPUWUENRQ-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.71
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136366) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
PubChem CID113136366
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C2CC2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-10-8-11(2)15(13(16)9-10)17-14(19)6-7-18(12-4-5-12)22(3,20)21/h8-9,12H,4-7H2,1-3H3,(H,17,19)
InChIKeyCIWLGTPUWUENRQ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide (CID 113136366) is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide is Cc1cc(C)c(NC(=O)CCN(C2CC2)S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The InChIKey is CIWLGTPUWUENRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-10-8-11(2)15(13(16)9-10)17-14(19)6-7-18(12-4-5-12)22(3,20)21/h8-9,12H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide has a molecular weight of 344.86 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).