4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide

C21H29NO3S — CID 133202228

IUPAC4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C
InChIInChI=1S/C21H29NO3S/c1-7-19(17-11-9-8-10-15(17)4)22-26(23,24)21-13-18(14(2)3)20(25-6)12-16(21)5/h8-14,19,22H,7H2,1-6H3
InChIKeyGSKGYSYFYJQUTL-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.87
Rot. Bonds7

About 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide

4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 133202228) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID133202228
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC Name4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C
InChIInChI=1S/C21H29NO3S/c1-7-19(17-11-9-8-10-15(17)4)22-26(23,24)21-13-18(14(2)3)20(25-6)12-16(21)5/h8-14,19,22H,7H2,1-6H3
InChIKeyGSKGYSYFYJQUTL-UHFFFAOYSA-N
XLogP4.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide 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

4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133262228
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
CID 122069465
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
CID 4018331
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide (CID 133202228) is 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide is CCC(NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is GSKGYSYFYJQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-7-19(17-11-9-8-10-15(17)4)22-26(23,24)21-13-18(14(2)3)20(25-6)12-16(21)5/h8-14,19,22H,7H2,1-6H3.
What are the key properties of 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 133202228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).