8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide

C18H15NO2S — CID 2801950

IUPAC8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cccc(S(=O)c3ccccc3)c12
InChIInChI=1S/C18H15NO2S/c1-19-18(20)15-11-5-7-13-8-6-12-16(17(13)15)22(21)14-9-3-2-4-10-14/h2-12H,1H3,(H,19,20)
InChIKeyBPWFROLTIZXCPO-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.37
Rot. Bonds3

About 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide

8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide (PubChem CID 2801950) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide
PubChem CID2801950
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cccc(S(=O)c3ccccc3)c12
InChIInChI=1S/C18H15NO2S/c1-19-18(20)15-11-5-7-13-8-6-12-16(17(13)15)22(21)14-9-3-2-4-10-14/h2-12H,1H3,(H,19,20)
InChIKeyBPWFROLTIZXCPO-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Isopropyl-9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxanthene-3-carboxylic acid methylamide
CID 10736152
N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
CID 11722381
8-[2-(Methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
CID 2801918
N,5-dimethyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10615243
N,5,7-trimethyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10735119
N,7-dimethyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10805268
N-benzyl-9,10,10-trioxo-6-(3-propan-2-ylphenyl)thioxanthene-1-carboxamide
CID 44144174
2-methyl-N-[[4-[(naphthalen-1-ylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 155531894
N-[2-(dimethylamino)ethyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15-carboxamide
CID 155532771
2-({8-[(Methylamino)carbonyl]-1-naphthyl}thio)benzoic acid
CID 2801916
2-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 16307545
1-(ethylsulfanyl)-N-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
CID 626653

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide (CID 2801950) is 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cccc(S(=O)c3ccccc3)c12.
What is the InChIKey of 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide?
The InChIKey is BPWFROLTIZXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-19-18(20)15-11-5-7-13-8-6-12-16(17(13)15)22(21)14-9-3-2-4-10-14/h2-12H,1H3,(H,19,20).
What are the key properties of 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide?
8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 2801950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).