5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide

C22H27N7O3S — CID 140651560

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)NC1NCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CN1
InChIInChI=1S/C22H27N7O3S/c1-33(31,32)29-22-25-11-16(12-26-22)15-7-8-19(18(9-15)14-5-3-2-4-6-14)28-21(30)20-24-13-17(10-23)27-20/h5,7-9,13,16,22,25-26,29H,2-4,6,11-12H2,1H3,(H,24,27)(H,28,30)
InChIKeyFGGMWZAYVPSLDV-UHFFFAOYSA-N
MW469.57 g/mol
LogP1.60
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 140651560) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID140651560
Molecular FormulaC22H27N7O3S
Molecular Weight469.57 g/mol
Exact Mass469.19
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)NC1NCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CN1
InChIInChI=1S/C22H27N7O3S/c1-33(31,32)29-22-25-11-16(12-26-22)15-7-8-19(18(9-15)14-5-3-2-4-6-14)28-21(30)20-24-13-17(10-23)27-20/h5,7-9,13,16,22,25-26,29H,2-4,6,11-12H2,1H3,(H,24,27)(H,28,30)
InChIKeyFGGMWZAYVPSLDV-UHFFFAOYSA-N
XLogP1.60
TPSA151.80 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide (CID 140651560) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide is CS(=O)(=O)NC1NCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CN1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is FGGMWZAYVPSLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-33(31,32)29-22-25-11-16(12-26-22)15-7-8-19(18(9-15)14-5-3-2-4-6-14)28-21(30)20-24-13-17(10-23)27-20/h5,7-9,13,16,22,25-26,29H,2-4,6,11-12H2,1H3,(H,24,27)(H,28,30).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 140651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).