2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide

C18H19ClN2O5S — CID 650645

IUPAC2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-25-14-6-4-13(5-7-14)20-17(22)10-27(24)11-18(23)21-15-9-12(19)3-8-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVIKKWKMEMPDSPI-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.68
Rot. Bonds8

About 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide

2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (PubChem CID 650645) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
PubChem CID650645
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-25-14-6-4-13(5-7-14)20-17(22)10-27(24)11-18(23)21-15-9-12(19)3-8-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVIKKWKMEMPDSPI-UHFFFAOYSA-N
XLogP2.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)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,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
CID 4104685
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
Cambridge id 6746060
CID 2912764
N-(5-chloro-2-methoxyphenyl)-2-(1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
CID 3238771
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16250928
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (CID 650645) is 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is VIKKWKMEMPDSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-14-6-4-13(5-7-14)20-17(22)10-27(24)11-18(23)21-15-9-12(19)3-8-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 410.88 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 650645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).