2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C19H21NOS — CID 8795745

IUPAC2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21NOS/c1-2-22-18-13-6-5-11-16(18)19(21)20-17-12-7-9-14-8-3-4-10-15(14)17/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,20,21)
InChIKeyDSURAEZRZCSHHF-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.93
Rot. Bonds4

About 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 8795745) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID8795745
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21NOS/c1-2-22-18-13-6-5-11-16(18)19(21)20-17-12-7-9-14-8-3-4-10-15(14)17/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,20,21)
InChIKeyDSURAEZRZCSHHF-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 30390937
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455792
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 8795745) is 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is CCSc1ccccc1C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is DSURAEZRZCSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-2-22-18-13-6-5-11-16(18)19(21)20-17-12-7-9-14-8-3-4-10-15(14)17/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,20,21).
What are the key properties of 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 311.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 8795745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).