3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C23H24N4O4S2 — CID 55783525

IUPAC3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24N4O4S2/c28-22(25-16-19-8-2-3-11-24-19)17-7-6-9-18(15-17)26-23(29)21-20(10-14-32-21)33(30,31)27-12-4-1-5-13-27/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,25,28)(H,26,29)
InChIKeyVHQLOIYKYRAWNY-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.50
Rot. Bonds7

About 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 55783525) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID55783525
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24N4O4S2/c28-22(25-16-19-8-2-3-11-24-19)17-7-6-9-18(15-17)26-23(29)21-20(10-14-32-21)33(30,31)27-12-4-1-5-13-27/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,25,28)(H,26,29)
InChIKeyVHQLOIYKYRAWNY-UHFFFAOYSA-N
XLogP3.50
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide 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

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
CID 26224528
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
CID 166340166
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 55783525) is 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is VHQLOIYKYRAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c28-22(25-16-19-8-2-3-11-24-19)17-7-6-9-18(15-17)26-23(29)21-20(10-14-32-21)33(30,31)27-12-4-1-5-13-27/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,25,28)(H,26,29).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55783525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).