propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate

C19H23NO3S — CID 134017831

IUPACpropan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(2)23-19(22)12-17(16-6-4-3-5-7-16)20-18(21)9-8-15-10-11-24-13-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyHCOQLKDGOIKACG-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.88
Rot. Bonds8

About propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate

propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate (PubChem CID 134017831) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
PubChem CID134017831
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Namepropan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(2)23-19(22)12-17(16-6-4-3-5-7-16)20-18(21)9-8-15-10-11-24-13-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyHCOQLKDGOIKACG-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
CID 110004275
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate?
The IUPAC name of propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate (CID 134017831) is propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate.
What is the SMILES notation for propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate?
The canonical SMILES for propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate is CC(C)OC(=O)CC(NC(=O)CCc1ccsc1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate?
The InChIKey is HCOQLKDGOIKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)23-19(22)12-17(16-6-4-3-5-7-16)20-18(21)9-8-15-10-11-24-13-15/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate?
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate has a molecular weight of 345.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate is sourced from PubChem (CID 134017831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).