N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide

C24H21NOS — CID 150439453

IUPACN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C24H21NOS/c1-27-23-12-5-4-10-22(23)24(26)25-19-15-13-18(14-16-19)21-11-6-8-17-7-2-3-9-20(17)21/h3-6,8-16H,2,7H2,1H3,(H,25,26)
InChIKeyHLLPSQODEBITLJ-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.29
Rot. Bonds4

About N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 150439453) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide
PubChem CID150439453
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C24H21NOS/c1-27-23-12-5-4-10-22(23)24(26)25-19-15-13-18(14-16-19)21-11-6-8-17-7-2-3-9-20(17)21/h3-6,8-16H,2,7H2,1H3,(H,25,26)
InChIKeyHLLPSQODEBITLJ-UHFFFAOYSA-N
XLogP6.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide
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2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
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N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
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N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
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2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
N-(4-methylphenyl)-9H-fluorene-4-carboxamide
CID 2802871
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
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CID 1243705

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide (CID 150439453) is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1.
What is the InChIKey of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is HLLPSQODEBITLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NOS/c1-27-23-12-5-4-10-22(23)24(26)25-19-15-13-18(14-16-19)21-11-6-8-17-7-2-3-9-20(17)21/h3-6,8-16H,2,7H2,1H3,(H,25,26).
What are the key properties of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide?
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 371.51 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 150439453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).