2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H19ClN4O3S2 — CID 55772019

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H19ClN4O3S2/c1-23-16-7-4-13(19)10-15(16)22-18(23)27-11-17(24)21-9-8-12-2-5-14(6-3-12)28(20,25)26/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyKVHVGQKLTKEQDZ-UHFFFAOYSA-N
MW438.96 g/mol
LogP2.33
Rot. Bonds7

About 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55772019) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55772019
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H19ClN4O3S2/c1-23-16-7-4-13(19)10-15(16)22-18(23)27-11-17(24)21-9-8-12-2-5-14(6-3-12)28(20,25)26/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyKVHVGQKLTKEQDZ-UHFFFAOYSA-N
XLogP2.33
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 47046624
N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 39968687
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30398563
2-[6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46370173
N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 25405082
5-chloro-2-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-1-methylbenzimidazole
CID 112832338
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 47046616
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylquinazolin-3-yl]propanamide
CID 46369775
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 55772019) is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is KVHVGQKLTKEQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-23-16-7-4-13(19)10-15(16)22-18(23)27-11-17(24)21-9-8-12-2-5-14(6-3-12)28(20,25)26/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 438.96 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55772019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).