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

C21H23N5O4S — CID 24759718

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C21H23N5O4S/c22-13-16-14-23-20(24-16)21(27)25-19-7-6-17(12-18(19)15-4-2-1-3-5-15)31(28,29)26-8-10-30-11-9-26/h4,6-7,12,14H,1-3,5,8-11H2,(H,23,24)(H,25,27)
InChIKeyWVMMRGLYZXMLHY-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.51
Rot. Bonds5

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759718) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide
PubChem CID24759718
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C21H23N5O4S/c22-13-16-14-23-20(24-16)21(27)25-19-7-6-17(12-18(19)15-4-2-1-3-5-15)31(28,29)26-8-10-30-11-9-26/h4,6-7,12,14H,1-3,5,8-11H2,(H,23,24)(H,25,27)
InChIKeyWVMMRGLYZXMLHY-UHFFFAOYSA-N
XLogP2.51
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.51
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-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide (CID 24759718) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is WVMMRGLYZXMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c22-13-16-14-23-20(24-16)21(27)25-19-7-6-17(12-18(19)15-4-2-1-3-5-15)31(28,29)26-8-10-30-11-9-26/h4,6-7,12,14H,1-3,5,8-11H2,(H,23,24)(H,25,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.51, 5 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-morpholin-4-ylsulfonylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).