2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide

C20H25ClN2O3S — CID 132663359

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-13(2)17-8-6-7-9-19(17)22-20(24)15(4)23(27(5,25)26)16-11-10-14(3)18(21)12-16/h6-13,15H,1-5H3,(H,22,24)
InChIKeyIAYJGJDJWLDDBE-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.57
Rot. Bonds6

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

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 132663359) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID132663359
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-13(2)17-8-6-7-9-19(17)22-20(24)15(4)23(27(5,25)26)16-11-10-14(3)18(21)12-16/h6-13,15H,1-5H3,(H,22,24)
InChIKeyIAYJGJDJWLDDBE-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(2-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666717
methyl 3-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate
CID 132671666
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 2973501
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 126413893
2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 50946272
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 132663359) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is IAYJGJDJWLDDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-13(2)17-8-6-7-9-19(17)22-20(24)15(4)23(27(5,25)26)16-11-10-14(3)18(21)12-16/h6-13,15H,1-5H3,(H,22,24).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 408.95 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 132663359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).