2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H19ClN4O3S2 — CID 29484698

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H19ClN4O3S2/c20-15-2-1-3-16(12-15)24-11-10-23-19(24)28-13-18(25)22-9-8-14-4-6-17(7-5-14)29(21,26)27/h1-7,10-12H,8-9,13H2,(H,22,25)(H2,21,26,27)
InChIKeyJQHWEZNRWONWNW-UHFFFAOYSA-N
MW450.97 g/mol
LogP2.62
Rot. Bonds8

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 29484698) has the molecular formula C19H19ClN4O3S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID29484698
Molecular FormulaC19H19ClN4O3S2
Molecular Weight450.97 g/mol
Exact Mass450.06
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H19ClN4O3S2/c20-15-2-1-3-16(12-15)24-11-10-23-19(24)28-13-18(25)22-9-8-14-4-6-17(7-5-14)29(21,26)27/h1-7,10-12H,8-9,13H2,(H,22,25)(H2,21,26,27)
InChIKeyJQHWEZNRWONWNW-UHFFFAOYSA-N
XLogP2.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941591
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55571943
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 29484698) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is JQHWEZNRWONWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S2/c20-15-2-1-3-16(12-15)24-11-10-23-19(24)28-13-18(25)22-9-8-14-4-6-17(7-5-14)29(21,26)27/h1-7,10-12H,8-9,13H2,(H,22,25)(H2,21,26,27).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 450.97 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 29484698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).