4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide

C19H15ClN2O2S — CID 4788025

IUPAC4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(23)22-14-9-7-13(8-10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyKNKUDMYYKWFZSN-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.32
Rot. Bonds5

About 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide

4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide (PubChem CID 4788025) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
PubChem CID4788025
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(23)22-14-9-7-13(8-10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyKNKUDMYYKWFZSN-UHFFFAOYSA-N
XLogP4.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
N-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46439728
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 32827422
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3953709
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide (CID 4788025) is 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1.
What is the InChIKey of 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is KNKUDMYYKWFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-5-1-3-12-4-2-6-16(18(12)15)25-11-17(23)22-14-9-7-13(8-10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23).
What are the key properties of 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide?
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 370.86 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 4788025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).