2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide

C15H24N2O2S — CID 107771710

IUPAC2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
SMILESCCNC(CSC(C)C(C)O)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-4-17-15(14(16)19,10-20-12(3)11(2)18)13-8-6-5-7-9-13/h5-9,11-12,17-18H,4,10H2,1-3H3,(H2,16,19)
InChIKeyIHMYUJYQWJJGEQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.48
Rot. Bonds8

About 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide

2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide (PubChem CID 107771710) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
PubChem CID107771710
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
SMILESCCNC(CSC(C)C(C)O)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-4-17-15(14(16)19,10-20-12(3)11(2)18)13-8-6-5-7-9-13/h5-9,11-12,17-18H,4,10H2,1-3H3,(H2,16,19)
InChIKeyIHMYUJYQWJJGEQ-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-(cyclopropylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanoic acid
CID 107771893
2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide
CID 62991235
2-(ethylamino)-3-(2-methylpentoxy)-2-phenylpropanamide
CID 103284960
ethyl 2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)-2-phenylpropanoate
CID 107755653
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
CID 107771793
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
methyl 2-(ethylamino)-4-(1-hydroxypropan-2-ylsulfanyl)-2-phenylbutanoate
CID 116694848
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 107771709
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide?
The IUPAC name of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide (CID 107771710) is 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide.
What is the SMILES notation for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide?
The canonical SMILES for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide is CCNC(CSC(C)C(C)O)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide?
The InChIKey is IHMYUJYQWJJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17-15(14(16)19,10-20-12(3)11(2)18)13-8-6-5-7-9-13/h5-9,11-12,17-18H,4,10H2,1-3H3,(H2,16,19).
What are the key properties of 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide?
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide has a molecular weight of 296.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide is sourced from PubChem (CID 107771710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).