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

C23H27N5O4S — CID 58994487

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H27N5O4S/c24-15-19-16-25-22(26-19)23(29)27-21-7-6-17(14-20(21)18-4-2-1-3-5-18)8-13-33(30,31)28-9-11-32-12-10-28/h4,6-7,14,16H,1-3,5,8-13H2,(H,25,26)(H,27,29)
InChIKeyFGFCWZPEWPVGHY-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.70
Rot. Bonds7

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 58994487) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID58994487
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H27N5O4S/c24-15-19-16-25-22(26-19)23(29)27-21-7-6-17(14-20(21)18-4-2-1-3-5-18)8-13-33(30,31)28-9-11-32-12-10-28/h4,6-7,14,16H,1-3,5,8-13H2,(H,25,26)(H,27,29)
InChIKeyFGFCWZPEWPVGHY-UHFFFAOYSA-N
XLogP2.70
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.70
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-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide (CID 58994487) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(CCS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is FGFCWZPEWPVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c24-15-19-16-25-22(26-19)23(29)27-21-7-6-17(14-20(21)18-4-2-1-3-5-18)8-13-33(30,31)28-9-11-32-12-10-28/h4,6-7,14,16H,1-3,5,8-13H2,(H,25,26)(H,27,29).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 2.70, 7 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-(2-morpholin-4-ylsulfonylethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58994487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).