N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C20H27NO5S — CID 133210573

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO5S/c1-7-16(15-8-9-18(25-5)19(12-15)26-6)21-27(22,23)20-11-10-17(24-4)13(2)14(20)3/h8-12,16,21H,7H2,1-6H3
InChIKeyISRXUWWGKXLQLW-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.76
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 133210573) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID133210573
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO5S/c1-7-16(15-8-9-18(25-5)19(12-15)26-6)21-27(22,23)20-11-10-17(24-4)13(2)14(20)3/h8-12,16,21H,7H2,1-6H3
InChIKeyISRXUWWGKXLQLW-UHFFFAOYSA-N
XLogP3.76
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide 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-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133184162
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(3,4-dimethylphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133219340

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 133210573) is N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is ISRXUWWGKXLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-7-16(15-8-9-18(25-5)19(12-15)26-6)21-27(22,23)20-11-10-17(24-4)13(2)14(20)3/h8-12,16,21H,7H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 133210573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).