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

C25H27NO5S — CID 54575620

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO5S/c1-25(2)16-19-14-18(10-12-22(19)31-25)17-26(20-8-6-5-7-9-20)32(27,28)21-11-13-23(29-3)24(15-21)30-4/h5-15H,16-17H2,1-4H3
InChIKeySRYXTPSNXWOGLW-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.81
Rot. Bonds7

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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide (PubChem CID 54575620) has the molecular formula C25H27NO5S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
PubChem CID54575620
Molecular FormulaC25H27NO5S
Molecular Weight453.56 g/mol
Exact Mass453.16
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO5S/c1-25(2)16-19-14-18(10-12-22(19)31-25)17-26(20-8-6-5-7-9-20)32(27,28)21-11-13-23(29-3)24(15-21)30-4/h5-15H,16-17H2,1-4H3
InChIKeySRYXTPSNXWOGLW-UHFFFAOYSA-N
XLogP4.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide 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

Kcn-1
CID 16097752
1-(3,4-Dimethoxy-benzenesulfonyl)-2,3-dihydro-1H-indole
CID 667701
N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
CID 53472867
N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575618
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 54575619
N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575623
N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575686
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 56679261
N-cyclobutyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137631958
N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 137635390
N-cyclobutyl-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137639067
N-[(2,2-dimethylchromen-6-yl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 137642034

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide (CID 54575620) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)c2ccccc2)cc1OC.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The InChIKey is SRYXTPSNXWOGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5S/c1-25(2)16-19-14-18(10-12-22(19)31-25)17-26(20-8-6-5-7-9-20)32(27,28)21-11-13-23(29-3)24(15-21)30-4/h5-15H,16-17H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide has a molecular weight of 453.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 54575620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).