3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

C21H24N2O4S — CID 55613156

IUPAC3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H24N2O4S/c24-21(22-14-18-12-15-6-1-4-11-20(15)27-18)16-7-5-10-19(13-16)28(25,26)23-17-8-2-3-9-17/h1,4-7,10-11,13,17-18,23H,2-3,8-9,12,14H2,(H,22,24)
InChIKeyUBSWEEUMIWTQRE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.64
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (PubChem CID 55613156) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
PubChem CID55613156
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H24N2O4S/c24-21(22-14-18-12-15-6-1-4-11-20(15)27-18)16-7-5-10-19(13-16)28(25,26)23-17-8-2-3-9-17/h1,4-7,10-11,13,17-18,23H,2-3,8-9,12,14H2,(H,22,24)
InChIKeyUBSWEEUMIWTQRE-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cyclopentylsulfamoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120946036
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (CID 55613156) is 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is O=C(NCC1Cc2ccccc2O1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The InChIKey is UBSWEEUMIWTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-21(22-14-18-12-15-6-1-4-11-20(15)27-18)16-7-5-10-19(13-16)28(25,26)23-17-8-2-3-9-17/h1,4-7,10-11,13,17-18,23H,2-3,8-9,12,14H2,(H,22,24).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is sourced from PubChem (CID 55613156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).