N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide

C18H15ClN2O3S2 — CID 1479354

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
SMILESCc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-3-2-4-15(9-12)26(23,24)11-17(22)21-18-20-16(10-25-18)13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyJVMGDISLDSQCFK-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide (PubChem CID 1479354) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
PubChem CID1479354
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
SMILESCc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-3-2-4-15(9-12)26(23,24)11-17(22)21-18-20-16(10-25-18)13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyJVMGDISLDSQCFK-UHFFFAOYSA-N
XLogP4.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
CID 4588547
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544449
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544713
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5234388
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094
2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 139232676
2-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 22584795

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide (CID 1479354) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide is Cc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide?
The InChIKey is JVMGDISLDSQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-12-3-2-4-15(9-12)26(23,24)11-17(22)21-18-20-16(10-25-18)13-5-7-14(19)8-6-13/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide has a molecular weight of 406.92 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 1479354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).