2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C20H24N4O3S2 — CID 16539526

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)18-12-15(11-10-14(18)3)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyCQQKICPNFZGAQK-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.63
Rot. Bonds8

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 16539526) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID16539526
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)18-12-15(11-10-14(18)3)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyCQQKICPNFZGAQK-UHFFFAOYSA-N
XLogP3.63
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16604348
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16604411
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 4851384
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 16539526) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is CQQKICPNFZGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)18-12-15(11-10-14(18)3)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 16539526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).