N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide

C17H19ClN2O3S — CID 113141532

IUPACN-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-12-14(18)8-9-16(13)19-17(21)10-11-20(24(2,22)23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyKLJCLSKQYGHERK-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide

N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide (PubChem CID 113141532) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
PubChem CID113141532
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-12-14(18)8-9-16(13)19-17(21)10-11-20(24(2,22)23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyKLJCLSKQYGHERK-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide (CID 113141532) is N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide is Cc1cc(Cl)ccc1NC(=O)CCN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide?
The InChIKey is KLJCLSKQYGHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-12-14(18)8-9-16(13)19-17(21)10-11-20(24(2,22)23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide?
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.44, 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-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).