4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide

C20H34N4O4S — CID 140884779

IUPAC4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCN1C(=O)N(CC2CCC(C(N)=O)CC2)C2CCC(S(=O)(=O)NC3(C)CC3)CC21
InChIInChI=1S/C20H34N4O4S/c1-20(9-10-20)22-29(27,28)15-7-8-16-17(11-15)23(2)19(26)24(16)12-13-3-5-14(6-4-13)18(21)25/h13-17,22H,3-12H2,1-2H3,(H2,21,25)
InChIKeyPCSVYFRJNFCCLL-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.41
Rot. Bonds6

About 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide

4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 140884779) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID140884779
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCN1C(=O)N(CC2CCC(C(N)=O)CC2)C2CCC(S(=O)(=O)NC3(C)CC3)CC21
InChIInChI=1S/C20H34N4O4S/c1-20(9-10-20)22-29(27,28)15-7-8-16-17(11-15)23(2)19(26)24(16)12-13-3-5-14(6-4-13)18(21)25/h13-17,22H,3-12H2,1-2H3,(H2,21,25)
InChIKeyPCSVYFRJNFCCLL-UHFFFAOYSA-N
XLogP1.41
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide (CID 140884779) is 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide is CN1C(=O)N(CC2CCC(C(N)=O)CC2)C2CCC(S(=O)(=O)NC3(C)CC3)CC21.
What is the InChIKey of 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is PCSVYFRJNFCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-20(9-10-20)22-29(27,28)15-7-8-16-17(11-15)23(2)19(26)24(16)12-13-3-5-14(6-4-13)18(21)25/h13-17,22H,3-12H2,1-2H3,(H2,21,25).
What are the key properties of 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide?
4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 140884779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).