2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C19H20N2O3S — CID 9095730

IUPAC2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O3S/c1-13-5-3-7-16(9-13)20-18(23)11-25-12-19(24)21-17-8-4-6-15(10-17)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYEFMBEZGPZZODR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 9095730) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID9095730
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O3S/c1-13-5-3-7-16(9-13)20-18(23)11-25-12-19(24)21-17-8-4-6-15(10-17)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYEFMBEZGPZZODR-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 41375162
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
N-(2,3-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51158819
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 30550797
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 9095730) is 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is YEFMBEZGPZZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-5-3-7-16(9-13)20-18(23)11-25-12-19(24)21-17-8-4-6-15(10-17)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9095730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).