2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide

C26H21ClN2O2S — CID 18902477

IUPAC2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C26H21ClN2O2S/c27-20-13-11-18(12-14-20)15-25(30)28-21-7-4-8-22(16-21)32-17-26(31)29-24-10-3-6-19-5-1-2-9-23(19)24/h1-14,16H,15,17H2,(H,28,30)(H,29,31)
InChIKeyUMLPCVZDJMSZTF-UHFFFAOYSA-N
MW460.99 g/mol
LogP6.41
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide

2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 18902477) has the molecular formula C26H21ClN2O2S and a molecular weight of 460.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID18902477
Molecular FormulaC26H21ClN2O2S
Molecular Weight460.99 g/mol
Exact Mass460.10
IUPAC Name2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C26H21ClN2O2S/c27-20-13-11-18(12-14-20)15-25(30)28-21-7-4-8-22(16-21)32-17-26(31)29-24-10-3-6-19-5-1-2-9-23(19)24/h1-14,16H,15,17H2,(H,28,30)(H,29,31)
InChIKeyUMLPCVZDJMSZTF-UHFFFAOYSA-N
XLogP6.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.99
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 18902448
2-(4-chlorophenyl)-N-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902486
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902461
2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18912663
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide
CID 18899372
4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897062
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
2-(4-chlorophenyl)-N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299488
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
4-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897066

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide (CID 18902477) is 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is UMLPCVZDJMSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2S/c27-20-13-11-18(12-14-20)15-25(30)28-21-7-4-8-22(16-21)32-17-26(31)29-24-10-3-6-19-5-1-2-9-23(19)24/h1-14,16H,15,17H2,(H,28,30)(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 460.99 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18902477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).