3-amino-2-naphthalen-2-ylsulfanylbenzamide

C17H14N2OS — CID 115935939

IUPAC3-amino-2-naphthalen-2-ylsulfanylbenzamide
SMILESNC(=O)c1cccc(N)c1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c18-15-7-3-6-14(17(19)20)16(15)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,18H2,(H2,19,20)
InChIKeySSLUZNXBLBMQBK-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.67
Rot. Bonds3

About 3-amino-2-naphthalen-2-ylsulfanylbenzamide

3-amino-2-naphthalen-2-ylsulfanylbenzamide (PubChem CID 115935939) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-2-naphthalen-2-ylsulfanylbenzamide.

Molecular Properties

Compound Name3-amino-2-naphthalen-2-ylsulfanylbenzamide
PubChem CID115935939
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name3-amino-2-naphthalen-2-ylsulfanylbenzamide
SMILESNC(=O)c1cccc(N)c1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c18-15-7-3-6-14(17(19)20)16(15)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,18H2,(H2,19,20)
InChIKeySSLUZNXBLBMQBK-UHFFFAOYSA-N
XLogP3.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
2-naphthalen-2-ylsulfanylaniline
CID 43519144
3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 112580243
3-naphthalen-2-ylsulfanylphthalic acid
CID 18431433
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)benzoic acid
CID 115936010
methyl 3-amino-2-(3,4-dichlorophenyl)sulfanylbenzoate
CID 115935997
ethyl 3-amino-2-(3,4-dimethylphenyl)sulfanylbenzoate
CID 115935917
3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 136985211
bis(2-aminobenzamide);platinum(2+)
CID 50912239
CID 70080980
CID 70080980

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-naphthalen-2-ylsulfanylbenzamide?
The IUPAC name of 3-amino-2-naphthalen-2-ylsulfanylbenzamide (CID 115935939) is 3-amino-2-naphthalen-2-ylsulfanylbenzamide.
What is the SMILES notation for 3-amino-2-naphthalen-2-ylsulfanylbenzamide?
The canonical SMILES for 3-amino-2-naphthalen-2-ylsulfanylbenzamide is NC(=O)c1cccc(N)c1Sc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-2-naphthalen-2-ylsulfanylbenzamide?
The InChIKey is SSLUZNXBLBMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c18-15-7-3-6-14(17(19)20)16(15)21-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,18H2,(H2,19,20).
What are the key properties of 3-amino-2-naphthalen-2-ylsulfanylbenzamide?
3-amino-2-naphthalen-2-ylsulfanylbenzamide has a molecular weight of 294.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-naphthalen-2-ylsulfanylbenzamide is sourced from PubChem (CID 115935939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).