N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide

C17H22N6O3S2 — CID 163807118

IUPACN-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccc(S(=O)(=O)NC3(C)CC3)cc2n1C1N=NC(C)S1
InChIInChI=1S/C17H22N6O3S2/c1-10(24)18-9-15-19-13-5-4-12(28(25,26)22-17(3)6-7-17)8-14(13)23(15)16-21-20-11(2)27-16/h4-5,8,11,16,22H,6-7,9H2,1-3H3,(H,18,24)
InChIKeyNJYYRAFTZAYVER-UHFFFAOYSA-N
MW422.54 g/mol
LogP2.50
Rot. Bonds6

About N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide

N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide (PubChem CID 163807118) has the molecular formula C17H22N6O3S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide
PubChem CID163807118
Molecular FormulaC17H22N6O3S2
Molecular Weight422.54 g/mol
Exact Mass422.12
IUPAC NameN-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccc(S(=O)(=O)NC3(C)CC3)cc2n1C1N=NC(C)S1
InChIInChI=1S/C17H22N6O3S2/c1-10(24)18-9-15-19-13-5-4-12(28(25,26)22-17(3)6-7-17)8-14(13)23(15)16-21-20-11(2)27-16/h4-5,8,11,16,22H,6-7,9H2,1-3H3,(H,18,24)
InChIKeyNJYYRAFTZAYVER-UHFFFAOYSA-N
XLogP2.50
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide (CID 163807118) is N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccc(S(=O)(=O)NC3(C)CC3)cc2n1C1N=NC(C)S1.
What is the InChIKey of N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide?
The InChIKey is NJYYRAFTZAYVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S2/c1-10(24)18-9-15-19-13-5-4-12(28(25,26)22-17(3)6-7-17)8-14(13)23(15)16-21-20-11(2)27-16/h4-5,8,11,16,22H,6-7,9H2,1-3H3,(H,18,24).
What are the key properties of N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide?
N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide has a molecular weight of 422.54 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1-methylcyclopropyl)sulfamoyl]-1-(5-methyl-2,5-dihydro-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 163807118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).