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

C21H36N4O4S — CID 140884686

IUPACN-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CN2C(=O)N(C)C3CC(S(=O)(=O)NC4(C)CC4)CCC32)CC1
InChIInChI=1S/C21H36N4O4S/c1-14(26)22-16-6-4-15(5-7-16)13-25-18-9-8-17(12-19(18)24(3)20(25)27)30(28,29)23-21(2)10-11-21/h15-19,23H,4-13H2,1-3H3,(H,22,26)
InChIKeyKEVXDWDISKKULP-UHFFFAOYSA-N
MW440.61 g/mol
LogP1.81
Rot. Bonds6

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

N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide (PubChem CID 140884686) has the molecular formula C21H36N4O4S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide
PubChem CID140884686
Molecular FormulaC21H36N4O4S
Molecular Weight440.61 g/mol
Exact Mass440.25
IUPAC NameN-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CN2C(=O)N(C)C3CC(S(=O)(=O)NC4(C)CC4)CCC32)CC1
InChIInChI=1S/C21H36N4O4S/c1-14(26)22-16-6-4-15(5-7-16)13-25-18-9-8-17(12-19(18)24(3)20(25)27)30(28,29)23-21(2)10-11-21/h15-19,23H,4-13H2,1-3H3,(H,22,26)
InChIKeyKEVXDWDISKKULP-UHFFFAOYSA-N
XLogP1.81
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide (CID 140884686) is N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CN2C(=O)N(C)C3CC(S(=O)(=O)NC4(C)CC4)CCC32)CC1.
What is the InChIKey of N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The InChIKey is KEVXDWDISKKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O4S/c1-14(26)22-16-6-4-15(5-7-16)13-25-18-9-8-17(12-19(18)24(3)20(25)27)30(28,29)23-21(2)10-11-21/h15-19,23H,4-13H2,1-3H3,(H,22,26).
What are the key properties of N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide?
N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide has a molecular weight of 440.61 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methyl-5-[(1-methylcyclopropyl)sulfamoyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 140884686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).