2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C18H19ClN4O4S — CID 6493681

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)ccc21
InChIInChI=1S/C18H19ClN4O4S/c1-21-15-9-8-12(10-16(15)22(2)18(21)25)20-17(24)11-23(28(3,26)27)14-7-5-4-6-13(14)19/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyWNCIJJQTBCCYTJ-UHFFFAOYSA-N
MW422.89 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 6493681) has the molecular formula C18H19ClN4O4S and a molecular weight of 422.89 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID6493681
Molecular FormulaC18H19ClN4O4S
Molecular Weight422.89 g/mol
Exact Mass422.08
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)ccc21
InChIInChI=1S/C18H19ClN4O4S/c1-21-15-9-8-12(10-16(15)22(2)18(21)25)20-17(24)11-23(28(3,26)27)14-7-5-4-6-13(14)19/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyWNCIJJQTBCCYTJ-UHFFFAOYSA-N
XLogP1.94
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2-chloro-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539001
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17312955
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1310728
2-(2-fluoro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100527490
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 6493681) is 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)ccc21.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is WNCIJJQTBCCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S/c1-21-15-9-8-12(10-16(15)22(2)18(21)25)20-17(24)11-23(28(3,26)27)14-7-5-4-6-13(14)19/h4-10H,11H2,1-3H3,(H,20,24).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 422.89 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 6493681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).