N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C21H27N3O3S2 — CID 5053355

IUPACN-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H27N3O3S2/c25-21(24(18-7-2-1-3-8-18)19-9-4-5-13-22-19)17-11-14-23(15-12-17)29(26,27)20-10-6-16-28-20/h4-6,9-10,13,16-18H,1-3,7-8,11-12,14-15H2
InChIKeyRVLGPVMOCDEXDH-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.91
Rot. Bonds5

About N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5053355) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID5053355
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H27N3O3S2/c25-21(24(18-7-2-1-3-8-18)19-9-4-5-13-22-19)17-11-14-23(15-12-17)29(26,27)20-10-6-16-28-20/h4-6,9-10,13,16-18H,1-3,7-8,11-12,14-15H2
InChIKeyRVLGPVMOCDEXDH-UHFFFAOYSA-N
XLogP3.91
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 5053355) is N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RVLGPVMOCDEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c25-21(24(18-7-2-1-3-8-18)19-9-4-5-13-22-19)17-11-14-23(15-12-17)29(26,27)20-10-6-16-28-20/h4-6,9-10,13,16-18H,1-3,7-8,11-12,14-15H2.
What are the key properties of N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5053355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).