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

C18H20N2O5S — CID 46514765

IUPACmethyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)Nc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(23)19-13-8-6-12(7-9-13)17(22)20-14(11-16(21)24-2)15-5-4-10-26-15/h4-10,14H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBDECJVUJELTXRE-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.35
Rot. Bonds7

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

methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 46514765) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID46514765
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)Nc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(23)19-13-8-6-12(7-9-13)17(22)20-14(11-16(21)24-2)15-5-4-10-26-15/h4-10,14H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBDECJVUJELTXRE-UHFFFAOYSA-N
XLogP3.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 51112274
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
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
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868
methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate (CID 46514765) is methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate is CCOC(=O)Nc1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1.
What is the InChIKey of methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is BDECJVUJELTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-25-18(23)19-13-8-6-12(7-9-13)17(22)20-14(11-16(21)24-2)15-5-4-10-26-15/h4-10,14H,3,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 376.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46514765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).