N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide

C20H23NO4S — CID 42723781

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1
InChIInChI=1S/C20H23NO4S/c1-13-8-14(2)20(15(3)9-13)26(22,23)21(17-5-6-17)11-16-4-7-18-19(10-16)25-12-24-18/h4,7-10,17H,5-6,11-12H2,1-3H3
InChIKeyAPEWZWPEHMIIJU-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.69
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide (PubChem CID 42723781) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
PubChem CID42723781
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1
InChIInChI=1S/C20H23NO4S/c1-13-8-14(2)20(15(3)9-13)26(22,23)21(17-5-6-17)11-16-4-7-18-19(10-16)25-12-24-18/h4,7-10,17H,5-6,11-12H2,1-3H3
InChIKeyAPEWZWPEHMIIJU-UHFFFAOYSA-N
XLogP3.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide 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

N-(1,3-benzodioxol-5-ylmethyl)-2,4,6-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42724335
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
CID 17457424
N-(1,3-benzodioxol-5-ylmethyl)-2,4,6-trimethyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 1165552
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 42725465
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17402358
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylethanesulfonamide
CID 61361658
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 1164979
2-[benzenesulfonyl(cyclopropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3311643
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1162109
N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 23937724

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide (CID 42723781) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is APEWZWPEHMIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-13-8-14(2)20(15(3)9-13)26(22,23)21(17-5-6-17)11-16-4-7-18-19(10-16)25-12-24-18/h4,7-10,17H,5-6,11-12H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 42723781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).