N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C23H24N2O4S2 — CID 38407060

IUPACN-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C23H24N2O4S2/c26-23(25-18-7-4-10-20(15-18)29-19-8-1-2-9-19)17-6-3-12-22(14-17)31(27,28)24-16-21-11-5-13-30-21/h3-7,10-15,19,24H,1-2,8-9,16H2,(H,25,26)
InChIKeyHZIJQISNGBMGKU-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.80
Rot. Bonds8

About N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 38407060) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID38407060
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C23H24N2O4S2/c26-23(25-18-7-4-10-20(15-18)29-19-8-1-2-9-19)17-6-3-12-22(14-17)31(27,28)24-16-21-11-5-13-30-21/h3-7,10-15,19,24H,1-2,8-9,16H2,(H,25,26)
InChIKeyHZIJQISNGBMGKU-UHFFFAOYSA-N
XLogP4.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 38407060) is N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(OC2CCCC2)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is HZIJQISNGBMGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c26-23(25-18-7-4-10-20(15-18)29-19-8-1-2-9-19)17-6-3-12-22(14-17)31(27,28)24-16-21-11-5-13-30-21/h3-7,10-15,19,24H,1-2,8-9,16H2,(H,25,26).
What are the key properties of N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 38407060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).