ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate

C17H19NO3S — CID 43910590

IUPACethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C17H19NO3S/c1-2-21-16(19)10-11-18(13-14-7-4-3-5-8-14)17(20)15-9-6-12-22-15/h3-9,12H,2,10-11,13H2,1H3
InChIKeyAMGAKMKBTYRQOJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.34
Rot. Bonds7

About ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate

ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate (PubChem CID 43910590) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
PubChem CID43910590
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C17H19NO3S/c1-2-21-16(19)10-11-18(13-14-7-4-3-5-8-14)17(20)15-9-6-12-22-15/h3-9,12H,2,10-11,13H2,1H3
InChIKeyAMGAKMKBTYRQOJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
3-aminonaphthalene-2-carboxylic acid;ethyl 3-[(3-aminonaphthalene-2-carbonyl)-benzylamino]propanoate
CID 157099227
ethyl 4-[[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)amino]-4-oxobutanoate
CID 3940148
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 4611746
ethyl 3-[benzyl-[[benzyl-(3-ethoxy-3-oxopropyl)amino]disulfanyl]amino]propanoate
CID 13421161
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446
ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 95330103
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate (CID 43910590) is ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate?
The InChIKey is AMGAKMKBTYRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-21-16(19)10-11-18(13-14-7-4-3-5-8-14)17(20)15-9-6-12-22-15/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate?
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate has a molecular weight of 317.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 43910590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).