3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide

C22H24N2O3S3 — CID 31842594

IUPAC3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H24N2O3S3/c25-22(24(15-19-9-4-12-28-19)16-20-10-5-13-29-20)17-6-3-11-21(14-17)30(26,27)23-18-7-1-2-8-18/h3-6,9-14,18,23H,1-2,7-8,15-16H2
InChIKeyATGKONXCDRDZOY-UHFFFAOYSA-N
MW460.65 g/mol
LogP4.87
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide

3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31842594) has the molecular formula C22H24N2O3S3 and a molecular weight of 460.65 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31842594
Molecular FormulaC22H24N2O3S3
Molecular Weight460.65 g/mol
Exact Mass460.09
IUPAC Name3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H24N2O3S3/c25-22(24(15-19-9-4-12-28-19)16-20-10-5-13-29-20)17-6-3-11-21(14-17)30(26,27)23-18-7-1-2-8-18/h3-6,9-14,18,23H,1-2,7-8,15-16H2
InChIKeyATGKONXCDRDZOY-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163436
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31842594) is 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is ATGKONXCDRDZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S3/c25-22(24(15-19-9-4-12-28-19)16-20-10-5-13-29-20)17-6-3-11-21(14-17)30(26,27)23-18-7-1-2-8-18/h3-6,9-14,18,23H,1-2,7-8,15-16H2.
What are the key properties of 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 460.65 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31842594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).