N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C21H21N3O4S3 — CID 16828820

IUPACN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C21H21N3O4S3/c22-19(25)15-13-17(14-7-2-1-3-8-14)30-21(15)23-20(26)16-9-4-5-11-24(16)31(27,28)18-10-6-12-29-18/h1-3,6-8,10,12-13,16H,4-5,9,11H2,(H2,22,25)(H,23,26)
InChIKeyLWWZCVYZWANJMC-UHFFFAOYSA-N
MW475.62 g/mol
LogP3.76
Rot. Bonds6

About N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 16828820) has the molecular formula C21H21N3O4S3 and a molecular weight of 475.62 g/mol. Its IUPAC name is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID16828820
Molecular FormulaC21H21N3O4S3
Molecular Weight475.62 g/mol
Exact Mass475.07
IUPAC NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C21H21N3O4S3/c22-19(25)15-13-17(14-7-2-1-3-8-14)30-21(15)23-20(26)16-9-4-5-11-24(16)31(27,28)18-10-6-12-29-18/h1-3,6-8,10,12-13,16H,4-5,9,11H2,(H2,22,25)(H,23,26)
InChIKeyLWWZCVYZWANJMC-UHFFFAOYSA-N
XLogP3.76
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-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

(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16828821
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826353
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 41166645
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 16828820) is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is LWWZCVYZWANJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S3/c22-19(25)15-13-17(14-7-2-1-3-8-14)30-21(15)23-20(26)16-9-4-5-11-24(16)31(27,28)18-10-6-12-29-18/h1-3,6-8,10,12-13,16H,4-5,9,11H2,(H2,22,25)(H,23,26).
What are the key properties of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 16828820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).