N-methyl-2-naphthalen-1-ylsulfanylbenzamide

C18H15NOS — CID 2801926

IUPACN-methyl-2-naphthalen-1-ylsulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C18H15NOS/c1-19-18(20)15-10-4-5-11-17(15)21-16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3,(H,19,20)
InChIKeyLMCXJHZYNFJMER-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.35
Rot. Bonds3

About N-methyl-2-naphthalen-1-ylsulfanylbenzamide

N-methyl-2-naphthalen-1-ylsulfanylbenzamide (PubChem CID 2801926) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-ylsulfanylbenzamide
PubChem CID2801926
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC NameN-methyl-2-naphthalen-1-ylsulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C18H15NOS/c1-19-18(20)15-10-4-5-11-17(15)21-16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3,(H,19,20)
InChIKeyLMCXJHZYNFJMER-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide
CID 70126088
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
CID 67018379
2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
CID 126714262
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
CID 10638032
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoic acid
CID 2801936
2-methoxy-N-methyl-3-methylsulfanylbenzamide
CID 69493076
1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
CID 53343510
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-ylsulfanylbenzamide?
The IUPAC name of N-methyl-2-naphthalen-1-ylsulfanylbenzamide (CID 2801926) is N-methyl-2-naphthalen-1-ylsulfanylbenzamide.
What is the SMILES notation for N-methyl-2-naphthalen-1-ylsulfanylbenzamide?
The canonical SMILES for N-methyl-2-naphthalen-1-ylsulfanylbenzamide is CNC(=O)c1ccccc1Sc1cccc2ccccc12.
What is the InChIKey of N-methyl-2-naphthalen-1-ylsulfanylbenzamide?
The InChIKey is LMCXJHZYNFJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-19-18(20)15-10-4-5-11-17(15)21-16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3,(H,19,20).
What are the key properties of N-methyl-2-naphthalen-1-ylsulfanylbenzamide?
N-methyl-2-naphthalen-1-ylsulfanylbenzamide has a molecular weight of 293.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-ylsulfanylbenzamide is sourced from PubChem (CID 2801926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).