1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C17H24N4O3S2 — CID 53085592

IUPAC1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C17H24N4O3S2/c1-13(2)20-11-16(19-12-20)26(23,24)21-7-5-14(6-8-21)17(22)18-10-15-4-3-9-25-15/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyHXWSKNLYHSCXIG-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.24
Rot. Bonds6

About 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53085592) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53085592
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C17H24N4O3S2/c1-13(2)20-11-16(19-12-20)26(23,24)21-7-5-14(6-8-21)17(22)18-10-15-4-3-9-25-15/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyHXWSKNLYHSCXIG-UHFFFAOYSA-N
XLogP2.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53085592) is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)c1.
What is the InChIKey of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HXWSKNLYHSCXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-13(2)20-11-16(19-12-20)26(23,24)21-7-5-14(6-8-21)17(22)18-10-15-4-3-9-25-15/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,18,22).
What are the key properties of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53085592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).