propyl 2-(thiophene-2-carbonylamino)propanoate

C11H15NO3S — CID 6422186

IUPACpropyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCCCOC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeySOLXZRSFCUPGRO-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.82
Rot. Bonds5

About propyl 2-(thiophene-2-carbonylamino)propanoate

propyl 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 6422186) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is propyl 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namepropyl 2-(thiophene-2-carbonylamino)propanoate
PubChem CID6422186
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namepropyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCCCOC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeySOLXZRSFCUPGRO-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stepronin
CID 54120
Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
l-Proline, N-(2-thienylcarbonyl)-, methyl ester
CID 531389
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
Thiophene-2-carboxylic acid, morpholide
CID 531921
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
CID 2448225
Methyl 4-methyl-2-(2-thienylcarbonylamino)pentanoate
CID 2916225

Frequently Asked Questions

What is the IUPAC name of propyl 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of propyl 2-(thiophene-2-carbonylamino)propanoate (CID 6422186) is propyl 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for propyl 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for propyl 2-(thiophene-2-carbonylamino)propanoate is CCCOC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of propyl 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is SOLXZRSFCUPGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of propyl 2-(thiophene-2-carbonylamino)propanoate?
propyl 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 241.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 6422186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).