N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide

C18H15ClN2O4S — CID 50790878

IUPACN-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C18H15ClN2O4S/c1-12-17(13-7-3-2-4-8-13)26(24,25)21(18(12)23)11-16(22)20-15-10-6-5-9-14(15)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyNGSUAVUXTGVLMJ-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.88
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide

N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide (PubChem CID 50790878) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide
PubChem CID50790878
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC NameN-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C18H15ClN2O4S/c1-12-17(13-7-3-2-4-8-13)26(24,25)21(18(12)23)11-16(22)20-15-10-6-5-9-14(15)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyNGSUAVUXTGVLMJ-UHFFFAOYSA-N
XLogP2.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide (CID 50790878) is N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide is CC1=C(c2ccccc2)S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide?
The InChIKey is NGSUAVUXTGVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-12-17(13-7-3-2-4-8-13)26(24,25)21(18(12)23)11-16(22)20-15-10-6-5-9-14(15)19/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide?
N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide has a molecular weight of 390.85 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide is sourced from PubChem (CID 50790878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).