2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

C18H20N2O3S — CID 578565

IUPAC2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-16-9-7-14(8-10-16)11-19-17(21)12-24-13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyPKXQOVGGRPMSOG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.68
Rot. Bonds8

About 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 578565) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID578565
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-16-9-7-14(8-10-16)11-19-17(21)12-24-13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyPKXQOVGGRPMSOG-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 578565) is 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PKXQOVGGRPMSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-16-9-7-14(8-10-16)11-19-17(21)12-24-13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 578565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).