3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide

C27H23ClN2O2S — CID 18904852

IUPAC3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
SMILESCCC(Sc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H23ClN2O2S/c1-2-25(27(32)30-23-14-13-18-7-3-4-8-19(18)16-23)33-24-12-6-11-22(17-24)29-26(31)20-9-5-10-21(28)15-20/h3-17,25H,2H2,1H3,(H,29,31)(H,30,32)
InChIKeyQORZNHACNOQLLW-UHFFFAOYSA-N
MW475.01 g/mol
LogP7.25
Rot. Bonds7

About 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide

3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18904852) has the molecular formula C27H23ClN2O2S and a molecular weight of 475.01 g/mol. Its IUPAC name is 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
PubChem CID18904852
Molecular FormulaC27H23ClN2O2S
Molecular Weight475.01 g/mol
Exact Mass474.12
IUPAC Name3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
SMILESCCC(Sc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H23ClN2O2S/c1-2-25(27(32)30-23-14-13-18-7-3-4-8-19(18)16-23)33-24-12-6-11-22(17-24)29-26(31)20-9-5-10-21(28)15-20/h3-17,25H,2H2,1H3,(H,29,31)(H,30,32)
InChIKeyQORZNHACNOQLLW-UHFFFAOYSA-N
XLogP7.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908304
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
N-naphthalen-2-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906004
3-methyl-N-[3-[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18906859
N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908339
N-[3-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908302
N-[(E)-1-(2,3-dichlorophenyl)-3-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19306637
3-chloro-N-[3-[1-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18899975
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299283
N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907732
N-[3-[1-(2-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903384

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide (CID 18904852) is 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide is CCC(Sc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is QORZNHACNOQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2S/c1-2-25(27(32)30-23-14-13-18-7-3-4-8-19(18)16-23)33-24-12-6-11-22(17-24)29-26(31)20-9-5-10-21(28)15-20/h3-17,25H,2H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide?
3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 475.01 g/mol, XLogP of 7.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18904852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).