N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

C22H20N2O3S — CID 9422642

IUPACN-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H20N2O3S/c1-15(25)17-8-4-9-18(12-17)23-21(26)13-28-14-22(27)24-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyKTQSCENIZUFGJE-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.35
Rot. Bonds7

About N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide

N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9422642) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID9422642
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H20N2O3S/c1-15(25)17-8-4-9-18(12-17)23-21(26)13-28-14-22(27)24-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyKTQSCENIZUFGJE-UHFFFAOYSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
CID 108956143
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 17497756
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide (CID 9422642) is N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is KTQSCENIZUFGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15(25)17-8-4-9-18(12-17)23-21(26)13-28-14-22(27)24-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 392.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).