5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

C25H29N5O4S — CID 11634651

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C25H29N5O4S/c1-35(33,34)16-23(31)30-11-9-17(10-12-30)19-7-8-22(21(13-19)18-5-3-2-4-6-18)29-25(32)24-27-15-20(14-26)28-24/h5,7-8,13,15,17H,2-4,6,9-12,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyAOPYRPVBZZQJMJ-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.24
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11634651) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11634651
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C25H29N5O4S/c1-35(33,34)16-23(31)30-11-9-17(10-12-30)19-7-8-22(21(13-19)18-5-3-2-4-6-18)29-25(32)24-27-15-20(14-26)28-24/h5,7-8,13,15,17H,2-4,6,9-12,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyAOPYRPVBZZQJMJ-UHFFFAOYSA-N
XLogP3.24
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11634651) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is CS(=O)(=O)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is AOPYRPVBZZQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-35(33,34)16-23(31)30-11-9-17(10-12-30)19-7-8-22(21(13-19)18-5-3-2-4-6-18)29-25(32)24-27-15-20(14-26)28-24/h5,7-8,13,15,17H,2-4,6,9-12,16H2,1H3,(H,27,28)(H,29,32).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11634651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).