2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C22H22ClN3O3S2 — CID 16899362

IUPAC2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H22ClN3O3S2/c1-29-19-4-2-3-15(11-19)9-10-24-20(27)12-18-13-30-22(26-18)31-14-21(28)25-17-7-5-16(23)6-8-17/h2-8,11,13H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDEBONMXKVGGVJW-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.44
Rot. Bonds10

About 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 16899362) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID16899362
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC Name2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H22ClN3O3S2/c1-29-19-4-2-3-15(11-19)9-10-24-20(27)12-18-13-30-22(26-18)31-14-21(28)25-17-7-5-16(23)6-8-17/h2-8,11,13H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDEBONMXKVGGVJW-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899507
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16898863
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16899152
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16898946
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16898722
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 16898720
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 16900143
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16898885
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16899982
N-ethyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898975
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899648
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898845

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 16899362) is 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is DEBONMXKVGGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c1-29-19-4-2-3-15(11-19)9-10-24-20(27)12-18-13-30-22(26-18)31-14-21(28)25-17-7-5-16(23)6-8-17/h2-8,11,13H,9-10,12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 476.02 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 16899362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).