2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide

C17H18N4O4S2 — CID 18838038

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C17H18N4O4S2/c22-10-9-18-27(24,25)13-7-5-12(6-8-13)19-16(23)11-26-17-20-14-3-1-2-4-15(14)21-17/h1-8,18,22H,9-11H2,(H,19,23)(H,20,21)
InChIKeyZFXCKIBTAGMBAA-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.56
Rot. Bonds8

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide (PubChem CID 18838038) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
PubChem CID18838038
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C17H18N4O4S2/c22-10-9-18-27(24,25)13-7-5-12(6-8-13)19-16(23)11-26-17-20-14-3-1-2-4-15(14)21-17/h1-8,18,22H,9-11H2,(H,19,23)(H,20,21)
InChIKeyZFXCKIBTAGMBAA-UHFFFAOYSA-N
XLogP1.56
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 39758056
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
CID 2388067
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(4-tert-butylphenyl)sulfonylacetohydrazide
CID 8505426
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16539526
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 135410559
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide (CID 18838038) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NCCO)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide?
The InChIKey is ZFXCKIBTAGMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c22-10-9-18-27(24,25)13-7-5-12(6-8-13)19-16(23)11-26-17-20-14-3-1-2-4-15(14)21-17/h1-8,18,22H,9-11H2,(H,19,23)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 18838038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).