N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

C19H25NO3S — CID 100535370

IUPACN-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-15-7-9-16(10-8-15)20-24(21,22)19-12-17(13(2)3)18(23-5)11-14(19)4/h7-13,20H,6H2,1-5H3
InChIKeyOHFNSGMHZMFRQL-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.49
Rot. Bonds6

About N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 100535370) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID100535370
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-15-7-9-16(10-8-15)20-24(21,22)19-12-17(13(2)3)18(23-5)11-14(19)4/h7-13,20H,6H2,1-5H3
InChIKeyOHFNSGMHZMFRQL-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887
4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
CID 100560748
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 112980539
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
CID 100703019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (CID 100535370) is N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is OHFNSGMHZMFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-6-15-7-9-16(10-8-15)20-24(21,22)19-12-17(13(2)3)18(23-5)11-14(19)4/h7-13,20H,6H2,1-5H3.
What are the key properties of N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100535370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).