ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate

C17H19NO2S — CID 63423354

IUPACethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(c1cccs1)C1CC1
InChIInChI=1S/C17H19NO2S/c1-2-20-17(19)13-6-3-4-7-14(13)18-16(12-9-10-12)15-8-5-11-21-15/h3-8,11-12,16,18H,2,9-10H2,1H3
InChIKeyFKWNRMXQBUZXDC-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.49
Rot. Bonds6

About ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate

ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate (PubChem CID 63423354) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate
PubChem CID63423354
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(c1cccs1)C1CC1
InChIInChI=1S/C17H19NO2S/c1-2-20-17(19)13-6-3-4-7-14(13)18-16(12-9-10-12)15-8-5-11-21-15/h3-8,11-12,16,18H,2,9-10H2,1H3
InChIKeyFKWNRMXQBUZXDC-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate?
The IUPAC name of ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate (CID 63423354) is ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate is CCOC(=O)c1ccccc1NC(c1cccs1)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate?
The InChIKey is FKWNRMXQBUZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-17(19)13-6-3-4-7-14(13)18-16(12-9-10-12)15-8-5-11-21-15/h3-8,11-12,16,18H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate?
ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate has a molecular weight of 301.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate is sourced from PubChem (CID 63423354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).