2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

C25H18Cl2N2O2S — CID 18902188

IUPAC2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H18Cl2N2O2S/c26-18-9-11-22(23(27)13-18)25(31)29-19-6-3-7-21(14-19)32-15-24(30)28-20-10-8-16-4-1-2-5-17(16)12-20/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyINPRCWJSJLDOQQ-UHFFFAOYSA-N
MW481.40 g/mol
LogP7.13
Rot. Bonds6

About 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18902188) has the molecular formula C25H18Cl2N2O2S and a molecular weight of 481.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18902188
Molecular FormulaC25H18Cl2N2O2S
Molecular Weight481.40 g/mol
Exact Mass480.05
IUPAC Name2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H18Cl2N2O2S/c26-18-9-11-22(23(27)13-18)25(31)29-19-6-3-7-21(14-19)32-15-24(30)28-20-10-8-16-4-1-2-5-17(16)12-20/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyINPRCWJSJLDOQQ-UHFFFAOYSA-N
XLogP7.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902162
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22779257
2-[[3-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895629
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
4-[[3-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896492

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 18902188) is 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is INPRCWJSJLDOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O2S/c26-18-9-11-22(23(27)13-18)25(31)29-19-6-3-7-21(14-19)32-15-24(30)28-20-10-8-16-4-1-2-5-17(16)12-20/h1-14H,15H2,(H,28,30)(H,29,31).
What are the key properties of 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 481.40 g/mol, XLogP of 7.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18902188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).