2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide

C20H22Br2N4O3S2 — CID 25044033

IUPAC2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H22Br2N4O3S2/c1-3-4-7-26-17-6-5-13(31(23,28)29)10-16(17)24-20(26)30-11-18(27)25-19-14(21)8-12(2)9-15(19)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,25,27)(H2,23,28,29)
InChIKeyIWMUXGBUTHFNJZ-UHFFFAOYSA-N
MW590.36 g/mol
LogP5.05
Rot. Bonds8

About 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 25044033) has the molecular formula C20H22Br2N4O3S2 and a molecular weight of 590.36 g/mol. Its IUPAC name is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID25044033
Molecular FormulaC20H22Br2N4O3S2
Molecular Weight590.36 g/mol
Exact Mass587.95
IUPAC Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H22Br2N4O3S2/c1-3-4-7-26-17-6-5-13(31(23,28)29)10-16(17)24-20(26)30-11-18(27)25-19-14(21)8-12(2)9-15(19)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,25,27)(H2,23,28,29)
InChIKeyIWMUXGBUTHFNJZ-UHFFFAOYSA-N
XLogP5.05
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 25042714
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-[(4-methylphenyl)methyl]acetamide
CID 4809907
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 25042013
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 4809467
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 4798979
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 4852149
dimethyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate
CID 25044692

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 25044033) is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide is CCCCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is IWMUXGBUTHFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N4O3S2/c1-3-4-7-26-17-6-5-13(31(23,28)29)10-16(17)24-20(26)30-11-18(27)25-19-14(21)8-12(2)9-15(19)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,25,27)(H2,23,28,29).
What are the key properties of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 590.36 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 25044033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).