2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide

C21H19ClN4O3S2 — CID 24979145

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C21H19ClN4O3S2/c22-15-5-1-4-14(10-15)21-25-17(13-30-21)12-20(27)24-16-6-2-7-18(11-16)31(28,29)26-19-8-3-9-23-19/h1-2,4-7,10-11,13H,3,8-9,12H2,(H,23,26)(H,24,27)
InChIKeyOGGNRHBUVZCNFU-UHFFFAOYSA-N
MW475.00 g/mol
LogP4.12
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 24979145) has the molecular formula C21H19ClN4O3S2 and a molecular weight of 475.00 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID24979145
Molecular FormulaC21H19ClN4O3S2
Molecular Weight475.00 g/mol
Exact Mass474.06
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C21H19ClN4O3S2/c22-15-5-1-4-14(10-15)21-25-17(13-30-21)12-20(27)24-16-6-2-7-18(11-16)31(28,29)26-19-8-3-9-23-19/h1-2,4-7,10-11,13H,3,8-9,12H2,(H,23,26)(H,24,27)
InChIKeyOGGNRHBUVZCNFU-UHFFFAOYSA-N
XLogP4.12
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (CID 24979145) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OGGNRHBUVZCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S2/c22-15-5-1-4-14(10-15)21-25-17(13-30-21)12-20(27)24-16-6-2-7-18(11-16)31(28,29)26-19-8-3-9-23-19/h1-2,4-7,10-11,13H,3,8-9,12H2,(H,23,26)(H,24,27).
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 475.00 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24979145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).