2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide

C19H25NO4S — CID 19132718

IUPAC2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
SMILESCCC(Cc1ccccc1)NS(=O)(=O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-5-16(12-15-9-7-6-8-10-15)20-25(21,22)19-13-17(23-3)14(2)11-18(19)24-4/h6-11,13,16,20H,5,12H2,1-4H3
InChIKeyUVDQWENNZKKHHI-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.31
Rot. Bonds8

About 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide

2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 19132718) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
PubChem CID19132718
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
SMILESCCC(Cc1ccccc1)NS(=O)(=O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-5-16(12-15-9-7-6-8-10-15)20-25(21,22)19-13-17(23-3)14(2)11-18(19)24-4/h6-11,13,16,20H,5,12H2,1-4H3
InChIKeyUVDQWENNZKKHHI-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 110673589
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide (CID 19132718) is 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide is CCC(Cc1ccccc1)NS(=O)(=O)c1cc(OC)c(C)cc1OC.
What is the InChIKey of 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is UVDQWENNZKKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-16(12-15-9-7-6-8-10-15)20-25(21,22)19-13-17(23-3)14(2)11-18(19)24-4/h6-11,13,16,20H,5,12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide?
2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 19132718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).