N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide

C18H19ClN2O3S — CID 38328922

IUPACN-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-24-10-17(22)20-14-6-8-15(9-7-14)21-18(23)12-25-11-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGDJXEGGIIDYTI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.80
Rot. Bonds8

About N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide

N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide (PubChem CID 38328922) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
PubChem CID38328922
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-24-10-17(22)20-14-6-8-15(9-7-14)21-18(23)12-25-11-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGDJXEGGIIDYTI-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 17444380
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17296174
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 1231029
N-(2-chlorophenyl)-4-[(2-methoxyacetyl)amino]benzamide
CID 1228428
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide (CID 38328922) is N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide?
The InChIKey is UGDJXEGGIIDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-24-10-17(22)20-14-6-8-15(9-7-14)21-18(23)12-25-11-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide?
N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide has a molecular weight of 378.88 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 38328922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).