N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide

C21H25ClN2O2S — CID 24687344

IUPACN-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C21H25ClN2O2S/c1-4-24(13-20(25)23-12-17-7-9-18(22)10-8-17)21(26)14-27-19-11-15(2)5-6-16(19)3/h5-11H,4,12-14H2,1-3H3,(H,23,25)
InChIKeyFRAYNPDJHOLRBQ-UHFFFAOYSA-N
MW404.96 g/mol
LogP4.21
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide (PubChem CID 24687344) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide
PubChem CID24687344
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C21H25ClN2O2S/c1-4-24(13-20(25)23-12-17-7-9-18(22)10-8-17)21(26)14-27-19-11-15(2)5-6-16(19)3/h5-11H,4,12-14H2,1-3H3,(H,23,25)
InChIKeyFRAYNPDJHOLRBQ-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]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-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870
2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 16552639
2-[[2-(2-Chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide
CID 164618901
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
CID 24818026
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 24982639
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2526375
N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 16552638
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide
CID 24982395
2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]-N,N-dimethylacetamide
CID 164616669
N-(4-chlorobenzyl)-2-[(4-chlorophenyl)sulfanyl]acetamide
CID 685019
N-benzyl-3-[(4-chlorophenyl)sulfanyl]propanamide
CID 846476

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide (CID 24687344) is N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cc(C)ccc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide?
The InChIKey is FRAYNPDJHOLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-4-24(13-20(25)23-12-17-7-9-18(22)10-8-17)21(26)14-27-19-11-15(2)5-6-16(19)3/h5-11H,4,12-14H2,1-3H3,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide has a molecular weight of 404.96 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetamide is sourced from PubChem (CID 24687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).