N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide

C19H23ClN2O3S — CID 113141830

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(11-13)22(26(4,24)25)9-8-18(23)21-19-15(3)10-14(2)12-17(19)20/h5-7,10-12H,8-9H2,1-4H3,(H,21,23)
InChIKeyLCTHILNZCUZZRJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.06
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141830) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141830
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(11-13)22(26(4,24)25)9-8-18(23)21-19-15(3)10-14(2)12-17(19)20/h5-7,10-12H,8-9H2,1-4H3,(H,21,23)
InChIKeyLCTHILNZCUZZRJ-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

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141853
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113143842
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide (CID 113141830) is N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide is Cc1cccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is LCTHILNZCUZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(11-13)22(26(4,24)25)9-8-18(23)21-19-15(3)10-14(2)12-17(19)20/h5-7,10-12H,8-9H2,1-4H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-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-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).