N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H18N4O3S3 — CID 55976325

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O3S3/c22-17(18-15-10-13(19-20-15)14-5-2-8-25-14)12-4-1-7-21(11-12)27(23,24)16-6-3-9-26-16/h2-3,5-6,8-10,12H,1,4,7,11H2,(H2,18,19,20,22)
InChIKeyNEXDCJNDEMGKDN-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.24
Rot. Bonds5

About N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55976325) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55976325
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O3S3/c22-17(18-15-10-13(19-20-15)14-5-2-8-25-14)12-4-1-7-21(11-12)27(23,24)16-6-3-9-26-16/h2-3,5-6,8-10,12H,1,4,7,11H2,(H2,18,19,20,22)
InChIKeyNEXDCJNDEMGKDN-UHFFFAOYSA-N
XLogP3.24
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559
(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397582
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-(1H-indazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134037452
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555902
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55976325) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is NEXDCJNDEMGKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c22-17(18-15-10-13(19-20-15)14-5-2-8-25-14)12-4-1-7-21(11-12)27(23,24)16-6-3-9-26-16/h2-3,5-6,8-10,12H,1,4,7,11H2,(H2,18,19,20,22).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55976325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).