8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate

C19H14NO3S- — CID 6928280

IUPAC8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
SMILESCNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)[O-])c12
InChIInChI=1S/C19H15NO3S/c1-20-18(21)13-8-2-3-10-15(13)24-16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyVJDDYENQXYSZIF-UHFFFAOYSA-M
MW336.39 g/mol
LogP2.71
Rot. Bonds4

About 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate

8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate (PubChem CID 6928280) has the molecular formula C19H14NO3S- and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate.

Molecular Properties

Compound Name8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
PubChem CID6928280
Molecular FormulaC19H14NO3S-
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC Name8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
SMILESCNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)[O-])c12
InChIInChI=1S/C19H15NO3S/c1-20-18(21)13-8-2-3-10-15(13)24-16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyVJDDYENQXYSZIF-UHFFFAOYSA-M
XLogP2.71
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide
CID 70126088
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
CID 67018379
8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
CID 2817411
2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoic acid
CID 2801936
2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
CID 126714262
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
CID 10638032
2-methylsulfanylbenzoate
CID 6932478
tris(8-bromonaphthalene-1-carboxylate);indium(3+)
CID 22604448
N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
CID 169439235

Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate?
The IUPAC name of 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate (CID 6928280) is 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate.
What is the SMILES notation for 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate?
The canonical SMILES for 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate is CNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)[O-])c12.
What is the InChIKey of 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate?
The InChIKey is VJDDYENQXYSZIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15NO3S/c1-20-18(21)13-8-2-3-10-15(13)24-16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate?
8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate is sourced from PubChem (CID 6928280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).