2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C19H17N5O4S3 — CID 25048506

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H17N5O4S3/c1-28-13-4-7-15-16(10-13)23-19(22-15)30-11-17(25)21-12-2-5-14(6-3-12)31(26,27)24-18-20-8-9-29-18/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAGVDWBAJIQWNKO-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.56
Rot. Bonds8

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 25048506) has the molecular formula C19H17N5O4S3 and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID25048506
Molecular FormulaC19H17N5O4S3
Molecular Weight475.58 g/mol
Exact Mass475.04
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H17N5O4S3/c1-28-13-4-7-15-16(10-13)23-19(22-15)30-11-17(25)21-12-2-5-14(6-3-12)31(26,27)24-18-20-8-9-29-18/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAGVDWBAJIQWNKO-UHFFFAOYSA-N
XLogP3.56
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 17138634
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4050197
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324816
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 23856518
dimethyl 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 18078072
N-(3-bromo-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7225656
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 22110231
2-(6-methoxynaphthalen-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 54612936
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-(4-methoxyphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 25048506) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is AGVDWBAJIQWNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S3/c1-28-13-4-7-15-16(10-13)23-19(22-15)30-11-17(25)21-12-2-5-14(6-3-12)31(26,27)24-18-20-8-9-29-18/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 475.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 25048506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).