N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

C25H18Cl2N2O2S — CID 18908218

IUPACN-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H18Cl2N2O2S/c26-22-11-10-20(14-23(22)27)28-24(30)15-32-21-7-3-6-19(13-21)29-25(31)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyUORFXQQQXXMRBB-UHFFFAOYSA-N
MW481.40 g/mol
LogP7.13
Rot. Bonds6

About N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908218) has the molecular formula C25H18Cl2N2O2S and a molecular weight of 481.40 g/mol. Its IUPAC name is N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908218
Molecular FormulaC25H18Cl2N2O2S
Molecular Weight481.40 g/mol
Exact Mass480.05
IUPAC NameN-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H18Cl2N2O2S/c26-22-11-10-20(14-23(22)27)28-24(30)15-32-21-7-3-6-19(13-21)29-25(31)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyUORFXQQQXXMRBB-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

N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299275
N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908205
2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902188
4-[[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896494
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
CID 19318440
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908238
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299276

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908218) is N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is UORFXQQQXXMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O2S/c26-22-11-10-20(14-23(22)27)28-24(30)15-32-21-7-3-6-19(13-21)29-25(31)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,28,30)(H,29,31).
What are the key properties of N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide 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 N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).