N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide

C21H27NO3S — CID 19219319

IUPACN-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO3S/c1-15-10-12-18(13-11-15)26(24,25)22(20(23)14-21(4,5)6)19-9-7-8-16(2)17(19)3/h7-13H,14H2,1-6H3
InChIKeyMETPTTTZOGROAB-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.77
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide

N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide (PubChem CID 19219319) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
PubChem CID19219319
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC NameN-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO3S/c1-15-10-12-18(13-11-15)26(24,25)22(20(23)14-21(4,5)6)19-9-7-8-16(2)17(19)3/h7-13H,14H2,1-6H3
InChIKeyMETPTTTZOGROAB-UHFFFAOYSA-N
XLogP4.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 126031297
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
CID 19212124
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide (CID 19219319) is N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is METPTTTZOGROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-15-10-12-18(13-11-15)26(24,25)22(20(23)14-21(4,5)6)19-9-7-8-16(2)17(19)3/h7-13H,14H2,1-6H3.
What are the key properties of N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide?
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 373.52 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 19219319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).