2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide

C16H24N2O2S — CID 62991235

IUPAC2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide
SMILESCCNC(CSC1CCOCC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-2-18-16(15(17)19,13-6-4-3-5-7-13)12-21-14-8-10-20-11-9-14/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19)
InChIKeyCCVDDUKIWBRPAB-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.89
Rot. Bonds7

About 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide

2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide (PubChem CID 62991235) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide
PubChem CID62991235
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide
SMILESCCNC(CSC1CCOCC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-2-18-16(15(17)19,13-6-4-3-5-7-13)12-21-14-8-10-20-11-9-14/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19)
InChIKeyCCVDDUKIWBRPAB-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
CID 107771710
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-(ethylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanenitrile
CID 116693325
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
methyl 2-(methylamino)-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoate
CID 79326571
2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 62991593
1-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962680
3-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-phenylpropanamide
CID 63217523
2-[2-(oxan-4-ylsulfanylmethyl)phenyl]acetohydrazide
CID 115465738
3-cyclopentylsulfanyl-2-(ethylamino)-2-methylpropanamide
CID 63115926

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide?
The IUPAC name of 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide (CID 62991235) is 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide.
What is the SMILES notation for 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide?
The canonical SMILES for 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide is CCNC(CSC1CCOCC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide?
The InChIKey is CCVDDUKIWBRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18-16(15(17)19,13-6-4-3-5-7-13)12-21-14-8-10-20-11-9-14/h3-7,14,18H,2,8-12H2,1H3,(H2,17,19).
What are the key properties of 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide?
2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide is sourced from PubChem (CID 62991235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).