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

C19H23ClN2O3S — CID 113142311

IUPACN-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-7-17(12-14(13)2)22(26(4,24)25)10-9-19(23)21-18-8-6-16(20)11-15(18)3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyWWSWOCRBXPYNPG-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.06
Rot. Bonds6

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

N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142311) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142311
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-7-17(12-14(13)2)22(26(4,24)25)10-9-19(23)21-18-8-6-16(20)11-15(18)3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyWWSWOCRBXPYNPG-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
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-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142311) is N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is WWSWOCRBXPYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-5-7-17(12-14(13)2)22(26(4,24)25)10-9-19(23)21-18-8-6-16(20)11-15(18)3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 394.92 g/mol, XLogP of 4.06, 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-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).