3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide

C20H26N2O3S — CID 113142623

IUPAC3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-14-9-10-18(13-16(14)3)21-20(23)11-12-22(26(5,24)25)19-8-6-7-15(2)17(19)4/h6-10,13H,11-12H2,1-5H3,(H,21,23)
InChIKeyITDXFWLWEMXNOU-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds6

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

3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113142623) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID113142623
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-14-9-10-18(13-16(14)3)21-20(23)11-12-22(26(5,24)25)19-8-6-7-15(2)17(19)4/h6-10,13H,11-12H2,1-5H3,(H,21,23)
InChIKeyITDXFWLWEMXNOU-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132665199
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 100666261

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (CID 113142623) is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C.
What is the InChIKey of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is ITDXFWLWEMXNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-9-10-18(13-16(14)3)21-20(23)11-12-22(26(5,24)25)19-8-6-7-15(2)17(19)4/h6-10,13H,11-12H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113142623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).