2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide

C21H25ClN2O4S — CID 46469912

IUPAC2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CNC(=O)CSCc2cccc(Cl)c2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-24(2)21(26)12-28-18-8-7-15(10-19(18)27-3)11-23-20(25)14-29-13-16-5-4-6-17(22)9-16/h4-10H,11-14H2,1-3H3,(H,23,25)
InChIKeyUQJCXHUNXSLOAY-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.37
Rot. Bonds10

About 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide

2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 46469912) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID46469912
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CNC(=O)CSCc2cccc(Cl)c2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-24(2)21(26)12-28-18-8-7-15(10-19(18)27-3)11-23-20(25)14-29-13-16-5-4-6-17(22)9-16/h4-10H,11-14H2,1-3H3,(H,23,25)
InChIKeyUQJCXHUNXSLOAY-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide 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-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 100556342
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 31307704
2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
2-[(4-bromophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28633274
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
2-[(3-chlorophenyl)methylsulfanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32601859
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 100532693

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide (CID 46469912) is 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide is COc1cc(CNC(=O)CSCc2cccc(Cl)c2)ccc1OCC(=O)N(C)C.
What is the InChIKey of 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is UQJCXHUNXSLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-24(2)21(26)12-28-18-8-7-15(10-19(18)27-3)11-23-20(25)14-29-13-16-5-4-6-17(22)9-16/h4-10H,11-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide?
2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 436.96 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 46469912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).