N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C18H19NOS — CID 42946722

IUPACN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NOS/c1-21-15-9-5-8-14(12-15)19-18(20)17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,19,20)
InChIKeyVELOHQVETVYAMR-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.47
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 42946722) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID42946722
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NOS/c1-21-15-9-5-8-14(12-15)19-18(20)17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,19,20)
InChIKeyVELOHQVETVYAMR-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52512198
(1S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95318911
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 86710936
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 46421494
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
3-methylsulfonyl-5-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)benzoic acid
CID 119257791

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 42946722) is N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CSc1cccc(NC(=O)C2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VELOHQVETVYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-21-15-9-5-8-14(12-15)19-18(20)17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,19,20).
What are the key properties of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 42946722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).