2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide

C19H20ClN3O3S — CID 2482106

IUPAC2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-13(24)21-14-7-9-15(10-8-14)27-12-19(26)23(2)11-18(25)22-17-6-4-3-5-16(17)20/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySCZUCMOZMISHSV-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.49
Rot. Bonds7

About 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 2482106) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID2482106
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-13(24)21-14-7-9-15(10-8-14)27-12-19(26)23(2)11-18(25)22-17-6-4-3-5-16(17)20/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySCZUCMOZMISHSV-UHFFFAOYSA-N
XLogP3.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)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-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24981037
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 38631592
N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988228
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
N-(2-chlorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712782
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606885

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 2482106) is 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is SCZUCMOZMISHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-13(24)21-14-7-9-15(10-8-14)27-12-19(26)23(2)11-18(25)22-17-6-4-3-5-16(17)20/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 405.91 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2482106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).