N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide

C14H22N2OS — CID 66348230

IUPACN-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
SMILESCCNCc1cccc(SC(C)C(=O)NCC)c1
InChIInChI=1S/C14H22N2OS/c1-4-15-10-12-7-6-8-13(9-12)18-11(3)14(17)16-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyCRQHEWCLTDWGIK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds7

About N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide

N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide (PubChem CID 66348230) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
PubChem CID66348230
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
SMILESCCNCc1cccc(SC(C)C(=O)NCC)c1
InChIInChI=1S/C14H22N2OS/c1-4-15-10-12-7-6-8-13(9-12)18-11(3)14(17)16-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyCRQHEWCLTDWGIK-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 66346878
N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66349004
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435
N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
CID 66346847
2-[3-(ethylaminomethyl)phenyl]sulfanylbutanoic acid
CID 66349013
2-[3-(propylaminomethyl)phenyl]sulfanylpropanamide
CID 66348073
ethyl 2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylpropanoate
CID 66347161
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
CID 66348346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide (CID 66348230) is N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide is CCNCc1cccc(SC(C)C(=O)NCC)c1.
What is the InChIKey of N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The InChIKey is CRQHEWCLTDWGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-15-10-12-7-6-8-13(9-12)18-11(3)14(17)16-5-2/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 66348230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).