N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide

C19H21ClN2O2S — CID 16552638

IUPACN-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-2-22(19(24)14-25-17-6-4-3-5-7-17)13-18(23)21-12-15-8-10-16(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyXLCCGJIHBQAHNZ-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.60
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide (PubChem CID 16552638) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
PubChem CID16552638
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-2-22(19(24)14-25-17-6-4-3-5-7-17)13-18(23)21-12-15-8-10-16(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyXLCCGJIHBQAHNZ-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide (CID 16552638) is N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
The InChIKey is XLCCGJIHBQAHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-2-22(19(24)14-25-17-6-4-3-5-7-17)13-18(23)21-12-15-8-10-16(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide has a molecular weight of 376.91 g/mol, XLogP of 3.60, 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-[ethyl-(2-phenylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 16552638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).