N-ethyl-N-phenyl-3-phenylsulfanylpropanamide

C17H19NOS — CID 132965267

IUPACN-ethyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESCCN(C(=O)CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-18(15-9-5-3-6-10-15)17(19)13-14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyMIHDDWXSWSTRHU-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.22
Rot. Bonds6

About N-ethyl-N-phenyl-3-phenylsulfanylpropanamide

N-ethyl-N-phenyl-3-phenylsulfanylpropanamide (PubChem CID 132965267) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-N-phenyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-3-phenylsulfanylpropanamide
PubChem CID132965267
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-ethyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESCCN(C(=O)CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-18(15-9-5-3-6-10-15)17(19)13-14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyMIHDDWXSWSTRHU-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
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methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
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2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
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1,5-bis(phenylsulfanyl)pentan-3-one
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N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 62335552
N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide
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N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-ethyl-N-phenyl-3-phenylsulfanylpropanamide (CID 132965267) is N-ethyl-N-phenyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-phenyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-ethyl-N-phenyl-3-phenylsulfanylpropanamide is CCN(C(=O)CCSc1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-3-phenylsulfanylpropanamide?
The InChIKey is MIHDDWXSWSTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-18(15-9-5-3-6-10-15)17(19)13-14-20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of N-ethyl-N-phenyl-3-phenylsulfanylpropanamide?
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 132965267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).