N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide

C18H20N4O4S — CID 3163517

IUPACN-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C18H20N4O4S/c1-11-9-13(19-12(2)23)6-8-17(11)27(25,26)20-14-5-7-15-16(10-14)22(4)18(24)21(15)3/h5-10,20H,1-4H3,(H,19,23)
InChIKeyIAFVLAXSNBVAJA-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.94
Rot. Bonds4

About N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide

N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide (PubChem CID 3163517) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide
PubChem CID3163517
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C18H20N4O4S/c1-11-9-13(19-12(2)23)6-8-17(11)27(25,26)20-14-5-7-15-16(10-14)22(4)18(24)21(15)3/h5-10,20H,1-4H3,(H,19,23)
InChIKeyIAFVLAXSNBVAJA-UHFFFAOYSA-N
XLogP1.94
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide (CID 3163517) is N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1.
What is the InChIKey of N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is IAFVLAXSNBVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11-9-13(19-12(2)23)6-8-17(11)27(25,26)20-14-5-7-15-16(10-14)22(4)18(24)21(15)3/h5-10,20H,1-4H3,(H,19,23).
What are the key properties of N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide?
N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 3163517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).