methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate

C17H19NO4S — CID 51112274

IUPACmethyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
SMILESCCOc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-13-8-6-12(7-9-13)17(20)18-14(11-16(19)21-2)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyZRZPCTXADBZSFP-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.18
Rot. Bonds7

About methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate

methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate (PubChem CID 51112274) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
PubChem CID51112274
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
SMILESCCOc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-13-8-6-12(7-9-13)17(20)18-14(11-16(19)21-2)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyZRZPCTXADBZSFP-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46514765
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
CID 46671606
methyl 3-thiophen-2-yl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]propanoate
CID 46514728
methyl 3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46514863
methyl 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 55514711
methyl 3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 47019236
methyl (3S)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175254
methyl (3R)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175255
methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate (CID 51112274) is methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate is CCOc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1.
What is the InChIKey of methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The InChIKey is ZRZPCTXADBZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-22-13-8-6-12(7-9-13)17(20)18-14(11-16(19)21-2)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20).
What are the key properties of methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate has a molecular weight of 333.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 51112274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).