2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide

C19H25NO4S — CID 110669733

IUPAC2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H25NO4S/c1-19(2,15-9-7-6-8-10-15)14-20(3)25(21,22)18-12-11-16(23-4)13-17(18)24-5/h6-13H,14H2,1-5H3
InChIKeyJDFBCSYABBMSGP-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.30
Rot. Bonds7

About 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide

2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide (PubChem CID 110669733) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide
PubChem CID110669733
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H25NO4S/c1-19(2,15-9-7-6-8-10-15)14-20(3)25(21,22)18-12-11-16(23-4)13-17(18)24-5/h6-13H,14H2,1-5H3
InChIKeyJDFBCSYABBMSGP-UHFFFAOYSA-N
XLogP3.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide (CID 110669733) is 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(C)(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide?
The InChIKey is JDFBCSYABBMSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-19(2,15-9-7-6-8-10-15)14-20(3)25(21,22)18-12-11-16(23-4)13-17(18)24-5/h6-13H,14H2,1-5H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide?
2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 110669733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).