2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide

C21H21NOS — CID 24624533

IUPAC2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
SMILESCCSc1ccccc1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H21NOS/c1-3-24-20-14-7-6-12-19(20)21(23)22-15(2)17-13-8-10-16-9-4-5-11-18(16)17/h4-15H,3H2,1-2H3,(H,22,23)
InChIKeyNLBVDZRMSWXERY-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.44
Rot. Bonds5

About 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide

2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide (PubChem CID 24624533) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
PubChem CID24624533
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
SMILESCCSc1ccccc1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H21NOS/c1-3-24-20-14-7-6-12-19(20)21(23)22-15(2)17-13-8-10-16-9-4-5-11-18(16)17/h4-15H,3H2,1-2H3,(H,22,23)
InChIKeyNLBVDZRMSWXERY-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
CID 99132067
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
CID 170337610
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
CID 34404237
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231886

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide (CID 24624533) is 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide is CCSc1ccccc1C(=O)NC(C)c1cccc2ccccc12.
What is the InChIKey of 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide?
The InChIKey is NLBVDZRMSWXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-3-24-20-14-7-6-12-19(20)21(23)22-15(2)17-13-8-10-16-9-4-5-11-18(16)17/h4-15H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide?
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide has a molecular weight of 335.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 24624533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).