N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

C21H23NO4S — CID 113096406

IUPACN-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1
InChIInChI=1S/C21H23NO4S/c1-14-3-2-4-17(11-14)27(23,24)22(16-5-6-16)13-19-18-8-10-25-20(18)12-15-7-9-26-21(15)19/h2-4,11-12,16H,5-10,13H2,1H3
InChIKeyBESGZVOOVNDMFI-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.22
Rot. Bonds5

About N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (PubChem CID 113096406) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
PubChem CID113096406
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1
InChIInChI=1S/C21H23NO4S/c1-14-3-2-4-17(11-14)27(23,24)22(16-5-6-16)13-19-18-8-10-25-20(18)12-15-7-9-26-21(15)19/h2-4,11-12,16H,5-10,13H2,1H3
InChIKeyBESGZVOOVNDMFI-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (CID 113096406) is N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(Cc2c3c(cc4c2OCC4)OCC3)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The InChIKey is BESGZVOOVNDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-14-3-2-4-17(11-14)27(23,24)22(16-5-6-16)13-19-18-8-10-25-20(18)12-15-7-9-26-21(15)19/h2-4,11-12,16H,5-10,13H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113096406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).