N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide

C15H21NO2S — CID 134021364

IUPACN-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
SMILESCCOc1ccccc1CSC(C)C(=O)NC1CC1
InChIInChI=1S/C15H21NO2S/c1-3-18-14-7-5-4-6-12(14)10-19-11(2)15(17)16-13-8-9-13/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyXZHOVQSDMSQWSA-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.99
Rot. Bonds7

About N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide

N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide (PubChem CID 134021364) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
PubChem CID134021364
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
SMILESCCOc1ccccc1CSC(C)C(=O)NC1CC1
InChIInChI=1S/C15H21NO2S/c1-3-18-14-7-5-4-6-12(14)10-19-11(2)15(17)16-13-8-9-13/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyXZHOVQSDMSQWSA-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
3-[(2-ethoxyphenyl)methylsulfanyl]butan-1-ol
CID 66138593
2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
CID 66220330
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-cyclopropylpropanamide
CID 60905806
N-cyclohexyl-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78797629
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide (CID 134021364) is N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide is CCOc1ccccc1CSC(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide?
The InChIKey is XZHOVQSDMSQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-18-14-7-5-4-6-12(14)10-19-11(2)15(17)16-13-8-9-13/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide?
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide has a molecular weight of 279.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 134021364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).