(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate

C17H19NO4S — CID 46816863

IUPAC(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
SMILESCCOc1ccccc1COC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H19NO4S/c1-2-21-15-6-4-3-5-13(15)11-22-16(19)7-9-18-17(20)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,20)
InChIKeyAPDQZBVWVQGFLN-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.01
Rot. Bonds8

About (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate

(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate (PubChem CID 46816863) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
PubChem CID46816863
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
SMILESCCOc1ccccc1COC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H19NO4S/c1-2-21-15-6-4-3-5-13(15)11-22-16(19)7-9-18-17(20)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,20)
InChIKeyAPDQZBVWVQGFLN-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 86821772
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18143916
ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate
CID 39268520
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
(2,4-difluorophenyl)methyl 4-(thiophene-3-carbonylamino)butanoate
CID 166217693
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 43017283
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
(4-nitrophenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 39954497
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate (CID 46816863) is (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate is CCOc1ccccc1COC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate?
The InChIKey is APDQZBVWVQGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-21-15-6-4-3-5-13(15)11-22-16(19)7-9-18-17(20)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,20).
What are the key properties of (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate?
(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate has a molecular weight of 333.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 46816863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).