N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide

C18H20N4O4S — CID 6461555

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-20-15-10-7-13(11-16(15)21(2)18(20)24)19-17(23)12-5-8-14(9-6-12)22(3)27(4,25)26/h5-11H,1-4H3,(H,19,23)
InChIKeyBWZLNNZJUNVMNV-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.53
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 6461555) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID6461555
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-20-15-10-7-13(11-16(15)21(2)18(20)24)19-17(23)12-5-8-14(9-6-12)22(3)27(4,25)26/h5-11H,1-4H3,(H,19,23)
InChIKeyBWZLNNZJUNVMNV-UHFFFAOYSA-N
XLogP1.53
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 6461555) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is BWZLNNZJUNVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-20-15-10-7-13(11-16(15)21(2)18(20)24)19-17(23)12-5-8-14(9-6-12)22(3)27(4,25)26/h5-11H,1-4H3,(H,19,23).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 388.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 6461555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).