4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C22H22ClN3O4S2 — CID 26073381

IUPAC4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O4S2/c1-14-3-5-17(15(2)11-14)19-13-31-22(24-19)25-21(27)16-4-6-18(23)20(12-16)32(28,29)26-7-9-30-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,27)
InChIKeyKTOGSGFHNFONDJ-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.35
Rot. Bonds5

About 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26073381) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26073381
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC Name4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O4S2/c1-14-3-5-17(15(2)11-14)19-13-31-22(24-19)25-21(27)16-4-6-18(23)20(12-16)32(28,29)26-7-9-30-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,27)
InChIKeyKTOGSGFHNFONDJ-UHFFFAOYSA-N
XLogP4.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550177
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 8919530
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27736732
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 23965692
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 26073381) is 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n2)c(C)c1.
What is the InChIKey of 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KTOGSGFHNFONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-14-3-5-17(15(2)11-14)19-13-31-22(24-19)25-21(27)16-4-6-18(23)20(12-16)32(28,29)26-7-9-30-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,27).
What are the key properties of 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 492.02 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).