N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide

C24H28N2O5S — CID 53105081

IUPACN-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)c(C)cc2c(C)c(C(=O)N3CCCC3)oc12
InChIInChI=1S/C24H28N2O5S/c1-15-13-19-17(3)21(24(27)26-11-7-8-12-26)31-22(19)23(16(15)2)32(28,29)25-14-18-9-5-6-10-20(18)30-4/h5-6,9-10,13,25H,7-8,11-12,14H2,1-4H3
InChIKeyWOLWELGVZRBKFQ-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.08
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide

N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide (PubChem CID 53105081) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
PubChem CID53105081
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)c(C)cc2c(C)c(C(=O)N3CCCC3)oc12
InChIInChI=1S/C24H28N2O5S/c1-15-13-19-17(3)21(24(27)26-11-7-8-12-26)31-22(19)23(16(15)2)32(28,29)25-14-18-9-5-6-10-20(18)30-4/h5-6,9-10,13,25H,7-8,11-12,14H2,1-4H3
InChIKeyWOLWELGVZRBKFQ-UHFFFAOYSA-N
XLogP4.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide 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

2-(azepane-1-carbonyl)-N-benzyl-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105392
2-(azepane-1-carbonyl)-N-(2-methoxyphenyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105397
N-(4-methoxyphenyl)-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105118
N-[2-(4-chlorophenyl)ethyl]-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105127
3,5,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 95084830
3,5,6-trimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105213
N-(3-bromophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105105
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-sulfonamide
CID 53105219
2-(azepane-1-carbonyl)-N-(2,5-difluorophenyl)-3,5,6-trimethyl-1-benzofuran-7-sulfonamide
CID 53105310
N-(5-chloro-2-methylphenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105052
azepan-1-yl-(3,5,6-trimethyl-7-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 53105345
N-(5-chloro-2-methylphenyl)-3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105126

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide (CID 53105081) is N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide is COc1ccccc1CNS(=O)(=O)c1c(C)c(C)cc2c(C)c(C(=O)N3CCCC3)oc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide?
The InChIKey is WOLWELGVZRBKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-15-13-19-17(3)21(24(27)26-11-7-8-12-26)31-22(19)23(16(15)2)32(28,29)25-14-18-9-5-6-10-20(18)30-4/h5-6,9-10,13,25H,7-8,11-12,14H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide?
N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide has a molecular weight of 456.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 53105081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).