N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide

C23H31NO5S — CID 54575623

IUPACN-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCCCCN(Cc1ccc2c(c1)CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H31NO5S/c1-6-7-12-24(16-17-8-10-20-18(13-17)15-23(2,3)29-20)30(25,26)19-9-11-21(27-4)22(14-19)28-5/h8-11,13-14H,6-7,12,15-16H2,1-5H3
InChIKeyFYOFKDQRUFHOHF-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.41
Rot. Bonds9

About N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide

N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 54575623) has the molecular formula C23H31NO5S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID54575623
Molecular FormulaC23H31NO5S
Molecular Weight433.57 g/mol
Exact Mass433.19
IUPAC NameN-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCCCCN(Cc1ccc2c(c1)CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H31NO5S/c1-6-7-12-24(16-17-8-10-20-18(13-17)15-23(2,3)29-20)30(25,26)19-9-11-21(27-4)22(14-19)28-5/h8-11,13-14H,6-7,12,15-16H2,1-5H3
InChIKeyFYOFKDQRUFHOHF-UHFFFAOYSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide 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-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 54575623) is N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide is CCCCN(Cc1ccc2c(c1)CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FYOFKDQRUFHOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5S/c1-6-7-12-24(16-17-8-10-20-18(13-17)15-23(2,3)29-20)30(25,26)19-9-11-21(27-4)22(14-19)28-5/h8-11,13-14H,6-7,12,15-16H2,1-5H3.
What are the key properties of N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 54575623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).