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

C24H31NO5S — CID 54575686

IUPACN-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)C2CCCC2)cc1OC
InChIInChI=1S/C24H31NO5S/c1-24(2)15-18-13-17(9-11-21(18)30-24)16-25(19-7-5-6-8-19)31(26,27)20-10-12-22(28-3)23(14-20)29-4/h9-14,19H,5-8,15-16H2,1-4H3
InChIKeyCRDOBJXZSHDUKG-UHFFFAOYSA-N
MW445.58 g/mol
LogP4.55
Rot. Bonds7

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

N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 54575686) has the molecular formula C24H31NO5S and a molecular weight of 445.58 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID54575686
Molecular FormulaC24H31NO5S
Molecular Weight445.58 g/mol
Exact Mass445.19
IUPAC NameN-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)C2CCCC2)cc1OC
InChIInChI=1S/C24H31NO5S/c1-24(2)15-18-13-17(9-11-21(18)30-24)16-25(19-7-5-6-8-19)31(26,27)20-10-12-22(28-3)23(14-20)29-4/h9-14,19H,5-8,15-16H2,1-4H3
InChIKeyCRDOBJXZSHDUKG-UHFFFAOYSA-N
XLogP4.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575618
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 54575620
N-butyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575623
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 56679261
N-(4-methoxybenzyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6463917
N-cyclobutyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137631958
N-cyclobutyl-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137639067
N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 56675943
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
CID 56679124
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-ynylbenzenesulfonamide
CID 56925889
N-tert-butyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 56925891
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 56925992

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 54575686) is N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)C2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is CRDOBJXZSHDUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5S/c1-24(2)15-18-13-17(9-11-21(18)30-24)16-25(19-7-5-6-8-19)31(26,27)20-10-12-22(28-3)23(14-20)29-4/h9-14,19H,5-8,15-16H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 445.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 54575686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).