2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide

C22H22ClN3O4S2 — CID 24680820

IUPAC2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22ClN3O4S2/c1-15-20(31-22(25-15)16-6-4-7-18(23)13-16)21(27)24-14-17-5-2-3-8-19(17)32(28,29)26-9-11-30-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyIRNLLSQFTZDPTM-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.72
Rot. Bonds6

About 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 24680820) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID24680820
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22ClN3O4S2/c1-15-20(31-22(25-15)16-6-4-7-18(23)13-16)21(27)24-14-17-5-2-3-8-19(17)32(28,29)26-9-11-30-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyIRNLLSQFTZDPTM-UHFFFAOYSA-N
XLogP3.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38123393
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
2-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 33308674
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24584059
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55460695

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 24680820) is 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IRNLLSQFTZDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-15-20(31-22(25-15)16-6-4-7-18(23)13-16)21(27)24-14-17-5-2-3-8-19(17)32(28,29)26-9-11-30-12-10-26/h2-8,13H,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24680820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).