N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H16ClN3O3S3 — CID 36678786

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H16ClN3O3S3/c22-17-7-1-2-8-18(17)25-31(27,28)16-6-3-5-14(11-16)23-20(26)12-15-13-30-21(24-15)19-9-4-10-29-19/h1-11,13,25H,12H2,(H,23,26)
InChIKeyMMZQDHHKRCMHFC-UHFFFAOYSA-N
MW490.03 g/mol
LogP5.51
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 36678786) has the molecular formula C21H16ClN3O3S3 and a molecular weight of 490.03 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID36678786
Molecular FormulaC21H16ClN3O3S3
Molecular Weight490.03 g/mol
Exact Mass489.00
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H16ClN3O3S3/c22-17-7-1-2-8-18(17)25-31(27,28)16-6-3-5-14(11-16)23-20(26)12-15-13-30-21(24-15)19-9-4-10-29-19/h1-11,13,25H,12H2,(H,23,26)
InChIKeyMMZQDHHKRCMHFC-UHFFFAOYSA-N
XLogP5.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.03
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 38766050
N-(3-sulfamoylphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 34751638
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513677
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25335625
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CID 38237310
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CID 26659353
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CID 27674745
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 36678786) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MMZQDHHKRCMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S3/c22-17-7-1-2-8-18(17)25-31(27,28)16-6-3-5-14(11-16)23-20(26)12-15-13-30-21(24-15)19-9-4-10-29-19/h1-11,13,25H,12H2,(H,23,26).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 490.03 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 36678786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).