2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide

C18H21N5O4S2 — CID 121416016

IUPAC2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide
SMILESCn1c(=O)n(C(C)(C(N)=O)c2cncs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C18H21N5O4S2/c1-17(6-7-17)21-29(26,27)11-4-5-12-13(8-11)23(16(25)22(12)3)18(2,15(19)24)14-9-20-10-28-14/h4-5,8-10,21H,6-7H2,1-3H3,(H2,19,24)
InChIKeyZATLLDIIQFXSSJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP0.88
Rot. Bonds6

About 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide

2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide (PubChem CID 121416016) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide
PubChem CID121416016
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide
SMILESCn1c(=O)n(C(C)(C(N)=O)c2cncs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C18H21N5O4S2/c1-17(6-7-17)21-29(26,27)11-4-5-12-13(8-11)23(16(25)22(12)3)18(2,15(19)24)14-9-20-10-28-14/h4-5,8-10,21H,6-7H2,1-3H3,(H2,19,24)
InChIKeyZATLLDIIQFXSSJ-UHFFFAOYSA-N
XLogP0.88
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 121415907
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylpyrazol-3-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 135205664
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119975623
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398173
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169692
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-3-pyridinyl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121404626
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazolidin-5-yl]propanoic acid
CID 146630166
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398699
3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398413

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide?
The IUPAC name of 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide (CID 121416016) is 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide is Cn1c(=O)n(C(C)(C(N)=O)c2cncs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide?
The InChIKey is ZATLLDIIQFXSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-17(6-7-17)21-29(26,27)11-4-5-12-13(8-11)23(16(25)22(12)3)18(2,15(19)24)14-9-20-10-28-14/h4-5,8-10,21H,6-7H2,1-3H3,(H2,19,24).
What are the key properties of 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide?
2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide has a molecular weight of 435.53 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 121416016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).