2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide

C19H20Br2N4O3S2 — CID 25042714

IUPAC2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H20Br2N4O3S2/c1-2-3-8-25-17-7-5-13(30(22,27)28)10-16(17)24-19(25)29-11-18(26)23-15-6-4-12(20)9-14(15)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyRQIJUQVZNJDDMG-UHFFFAOYSA-N
MW576.34 g/mol
LogP4.74
Rot. Bonds8

About 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide (PubChem CID 25042714) has the molecular formula C19H20Br2N4O3S2 and a molecular weight of 576.34 g/mol. Its IUPAC name is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
PubChem CID25042714
Molecular FormulaC19H20Br2N4O3S2
Molecular Weight576.34 g/mol
Exact Mass573.93
IUPAC Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H20Br2N4O3S2/c1-2-3-8-25-17-7-5-13(30(22,27)28)10-16(17)24-19(25)29-11-18(26)23-15-6-4-12(20)9-14(15)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyRQIJUQVZNJDDMG-UHFFFAOYSA-N
XLogP4.74
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.34
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 25044033
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 4809467
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 4798979
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 25039119
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 25039593
dimethyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate
CID 25044692
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-(3-cyanophenyl)acetamide
CID 4852149
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809907
N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 36610817

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide (CID 25042714) is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The canonical SMILES for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide is CCCCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The InChIKey is RQIJUQVZNJDDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N4O3S2/c1-2-3-8-25-17-7-5-13(30(22,27)28)10-16(17)24-19(25)29-11-18(26)23-15-6-4-12(20)9-14(15)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,26)(H2,22,27,28).
What are the key properties of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide has a molecular weight of 576.34 g/mol, XLogP of 4.74, 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-(2,4-dibromophenyl)acetamide is sourced from PubChem (CID 25042714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).