2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C19H20ClFN2O3S — CID 24978900

IUPAC2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-23(10-15-16(20)4-3-5-17(15)21)19(25)12-27-11-18(24)22-13-6-8-14(26-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,24)
InChIKeyFBBPJIBMXWSBQY-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.82
Rot. Bonds8

About 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 24978900) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID24978900
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-23(10-15-16(20)4-3-5-17(15)21)19(25)12-27-11-18(24)22-13-6-8-14(26-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,24)
InChIKeyFBBPJIBMXWSBQY-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-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

2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
2-(benzylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 2889957
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
3-(2-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692544
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585054
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948144
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2118538
N-[2-(4-Chloro-benzylsulfanyl)-ethyl]-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 2262330
N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 2532920
2-(acetylamino)-N~1~-(2-chlorobenzyl)-N~3~-(4-methoxyphenyl)malonamide
CID 3765655

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 24978900) is 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)N(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is FBBPJIBMXWSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-23(10-15-16(20)4-3-5-17(15)21)19(25)12-27-11-18(24)22-13-6-8-14(26-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 410.90 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24978900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).