N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C21H27N3O5S3 — CID 55920459

IUPACN-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C21H27N3O5S3/c25-21(17-10-14-24(15-11-17)32(28,29)20-9-6-16-30-20)22-18-7-2-3-8-19(18)31(26,27)23-12-4-1-5-13-23/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,22,25)
InChIKeyFAYSHEIRRHBHLR-UHFFFAOYSA-N
MW497.66 g/mol
LogP2.96
Rot. Bonds6

About N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55920459) has the molecular formula C21H27N3O5S3 and a molecular weight of 497.66 g/mol. Its IUPAC name is N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55920459
Molecular FormulaC21H27N3O5S3
Molecular Weight497.66 g/mol
Exact Mass497.11
IUPAC NameN-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C21H27N3O5S3/c25-21(17-10-14-24(15-11-17)32(28,29)20-9-6-16-30-20)22-18-7-2-3-8-19(18)31(26,27)23-12-4-1-5-13-23/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,22,25)
InChIKeyFAYSHEIRRHBHLR-UHFFFAOYSA-N
XLogP2.96
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
1-thiophen-2-ylsulfonylpiperidine
CID 765823
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56527498
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55920459) is N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FAYSHEIRRHBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S3/c25-21(17-10-14-24(15-11-17)32(28,29)20-9-6-16-30-20)22-18-7-2-3-8-19(18)31(26,27)23-12-4-1-5-13-23/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,22,25).
What are the key properties of N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55920459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).