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

C18H21ClN2O3S — CID 113144145

IUPAC3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-5-4-6-16(11-13)20-18(22)9-10-21(25(3,23)24)17-8-7-15(19)12-14(17)2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyPPEAXMVILCQFRY-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.75
Rot. Bonds6

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

3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (PubChem CID 113144145) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
PubChem CID113144145
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-5-4-6-16(11-13)20-18(22)9-10-21(25(3,23)24)17-8-7-15(19)12-14(17)2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyPPEAXMVILCQFRY-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1315120
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (CID 113144145) is 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is PPEAXMVILCQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-5-4-6-16(11-13)20-18(22)9-10-21(25(3,23)24)17-8-7-15(19)12-14(17)2/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113144145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).