N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide

C23H24ClN3O3S — CID 38212370

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H24ClN3O3S/c1-27(15-23(29)26-19-5-3-4-6-21(19)31-2)14-22(28)25-13-18-11-12-20(30-18)16-7-9-17(24)10-8-16/h3-12H,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJSGUFEUWJJEUJX-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.51
Rot. Bonds9

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 38212370) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
PubChem CID38212370
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H24ClN3O3S/c1-27(15-23(29)26-19-5-3-4-6-21(19)31-2)14-22(28)25-13-18-11-12-20(30-18)16-7-9-17(24)10-8-16/h3-12H,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJSGUFEUWJJEUJX-UHFFFAOYSA-N
XLogP4.51
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 55365266
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712133
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8814918

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide (CID 38212370) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is JSGUFEUWJJEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-27(15-23(29)26-19-5-3-4-6-21(19)31-2)14-22(28)25-13-18-11-12-20(30-18)16-7-9-17(24)10-8-16/h3-12H,13-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 457.98 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 38212370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).