N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

C16H16BrN5O3S2 — CID 36610817

IUPACN-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(Br)cn2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H16BrN5O3S2/c1-2-22-13-5-4-11(27(18,24)25)7-12(13)20-16(22)26-9-15(23)21-14-6-3-10(17)8-19-14/h3-8H,2,9H2,1H3,(H2,18,24,25)(H,19,21,23)
InChIKeyWUYXDKUIXBMXLC-UHFFFAOYSA-N
MW470.37 g/mol
LogP2.59
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 36610817) has the molecular formula C16H16BrN5O3S2 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID36610817
Molecular FormulaC16H16BrN5O3S2
Molecular Weight470.37 g/mol
Exact Mass468.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(Br)cn2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H16BrN5O3S2/c1-2-22-13-5-4-11(27(18,24)25)7-12(13)20-16(22)26-9-15(23)21-14-6-3-10(17)8-19-14/h3-8H,2,9H2,1H3,(H2,18,24,25)(H,19,21,23)
InChIKeyWUYXDKUIXBMXLC-UHFFFAOYSA-N
XLogP2.59
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 25042714
ethyl 2-[[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 41472816
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 25039593
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 25044033
N-(2-cyano-3-methylbutan-2-yl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 42915938
butyl 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate
CID 7488126
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 25039119
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (CID 36610817) is N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2ccc(Br)cn2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is WUYXDKUIXBMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O3S2/c1-2-22-13-5-4-11(27(18,24)25)7-12(13)20-16(22)26-9-15(23)21-14-6-3-10(17)8-19-14/h3-8H,2,9H2,1H3,(H2,18,24,25)(H,19,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 470.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 36610817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).