2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide

C42H42Cl2N8O8S4 — CID 159937811

IUPAC2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nc(N2CCOCC2)cs1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1ncc(N2CCOCC2)s1
InChIInChI=1S/2C21H21ClN4O4S2/c22-17-4-2-1-3-14(17)11-20(27)24-15-5-6-16(18(12-15)32(23,28)29)21-25-19(13-31-21)26-7-9-30-10-8-26;22-17-4-2-1-3-14(17)11-19(27)25-15-5-6-16(18(12-15)32(23,28)29)21-24-13-20(31-21)26-7-9-30-10-8-26/h1-6,12-13H,7-11H2,(H,24,27)(H2,23,28,29);1-6,12-13H,7-11H2,(H,25,27)(H2,23,28,29)
InChIKeyOAMFDLDUVMEXMJ-UHFFFAOYSA-N
MW986.02 g/mol
LogP6.26
Rot. Bonds12

About 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide (PubChem CID 159937811) has the molecular formula C42H42Cl2N8O8S4 and a molecular weight of 986.02 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide
PubChem CID159937811
Molecular FormulaC42H42Cl2N8O8S4
Molecular Weight986.02 g/mol
Exact Mass984.14
IUPAC Name2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nc(N2CCOCC2)cs1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1ncc(N2CCOCC2)s1
InChIInChI=1S/2C21H21ClN4O4S2/c22-17-4-2-1-3-14(17)11-20(27)24-15-5-6-16(18(12-15)32(23,28)29)21-25-19(13-31-21)26-7-9-30-10-8-26;22-17-4-2-1-3-14(17)11-19(27)25-15-5-6-16(18(12-15)32(23,28)29)21-24-13-20(31-21)26-7-9-30-10-8-26/h1-6,12-13H,7-11H2,(H,24,27)(H2,23,28,29);1-6,12-13H,7-11H2,(H,25,27)(H2,23,28,29)
InChIKeyOAMFDLDUVMEXMJ-UHFFFAOYSA-N
XLogP6.26
TPSA229.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.02
LogP ≤ 56.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 161293310
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55388414
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78823470
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide (CID 159937811) is 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nc(N2CCOCC2)cs1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1ncc(N2CCOCC2)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide?
The InChIKey is OAMFDLDUVMEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21ClN4O4S2/c22-17-4-2-1-3-14(17)11-20(27)24-15-5-6-16(18(12-15)32(23,28)29)21-25-19(13-31-21)26-7-9-30-10-8-26;22-17-4-2-1-3-14(17)11-19(27)25-15-5-6-16(18(12-15)32(23,28)29)21-24-13-20(31-21)26-7-9-30-10-8-26/h1-6,12-13H,7-11H2,(H,24,27)(H2,23,28,29);1-6,12-13H,7-11H2,(H,25,27)(H2,23,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide has a molecular weight of 986.02 g/mol, XLogP of 6.26, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 159937811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).