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

C19H23N5O4S2 — CID 121415846

IUPACN-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide
SMILESCNC(=O)CCc1cnc(-n2c(=O)n(C)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1
InChIInChI=1S/C19H23N5O4S2/c1-19(8-9-19)22-30(27,28)13-5-6-14-15(10-13)24(18(26)23(14)3)17-21-11-12(29-17)4-7-16(25)20-2/h5-6,10-11,22H,4,7-9H2,1-3H3,(H,20,25)
InChIKeyLJIUFWGIGZAHHV-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.30
Rot. Bonds7

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

N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide (PubChem CID 121415846) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide
PubChem CID121415846
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC NameN-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide
SMILESCNC(=O)CCc1cnc(-n2c(=O)n(C)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1
InChIInChI=1S/C19H23N5O4S2/c1-19(8-9-19)22-30(27,28)13-5-6-14-15(10-13)24(18(26)23(14)3)17-21-11-12(29-17)4-7-16(25)20-2/h5-6,10-11,22H,4,7-9H2,1-3H3,(H,20,25)
InChIKeyLJIUFWGIGZAHHV-UHFFFAOYSA-N
XLogP1.30
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide?
The IUPAC name of N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide (CID 121415846) is N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide.
What is the SMILES notation for N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide?
The canonical SMILES for N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide is CNC(=O)CCc1cnc(-n2c(=O)n(C)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1.
What is the InChIKey of N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide?
The InChIKey is LJIUFWGIGZAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-19(8-9-19)22-30(27,28)13-5-6-14-15(10-13)24(18(26)23(14)3)17-21-11-12(29-17)4-7-16(25)20-2/h5-6,10-11,22H,4,7-9H2,1-3H3,(H,20,25).
What are the key properties of N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide?
N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide has a molecular weight of 449.56 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-1,3-thiazol-5-yl]propanamide is sourced from PubChem (CID 121415846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).