2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide

C15H23N3O2S — CID 66346878

IUPAC2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
SMILESCCNCc1cccc(SC(C)C(=O)NC(=O)NCC)c1
InChIInChI=1S/C15H23N3O2S/c1-4-16-10-12-7-6-8-13(9-12)21-11(3)14(19)18-15(20)17-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyASXCZLNWRFEJPC-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.12
Rot. Bonds7

About 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide (PubChem CID 66346878) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
PubChem CID66346878
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
SMILESCCNCc1cccc(SC(C)C(=O)NC(=O)NCC)c1
InChIInChI=1S/C15H23N3O2S/c1-4-16-10-12-7-6-8-13(9-12)21-11(3)14(19)18-15(20)17-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyASXCZLNWRFEJPC-UHFFFAOYSA-N
XLogP2.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66349004
N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
CID 66346847
2-[3-(ethylaminomethyl)phenyl]sulfanylbutanoic acid
CID 66349013
2-[3-(propylaminomethyl)phenyl]sulfanylpropanamide
CID 66348073
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525
ethyl 2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylpropanoate
CID 66347161
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
N-(ethylcarbamoyl)-2-[(3-methylphenyl)methylamino]propanamide
CID 60734036
2-(3-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 122141662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide (CID 66346878) is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide is CCNCc1cccc(SC(C)C(=O)NC(=O)NCC)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide?
The InChIKey is ASXCZLNWRFEJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-16-10-12-7-6-8-13(9-12)21-11(3)14(19)18-15(20)17-5-2/h6-9,11,16H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide?
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide has a molecular weight of 309.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 66346878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).