ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate

C16H17NO2S — CID 14142699

IUPACethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C3CC3)cc2)csc1N
InChIInChI=1S/C16H17NO2S/c1-2-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4,17H2,1H3
InChIKeyRUHGGJCTJWQPPJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.05
Rot. Bonds4

About ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate (PubChem CID 14142699) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
PubChem CID14142699
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Nameethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C3CC3)cc2)csc1N
InChIInChI=1S/C16H17NO2S/c1-2-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4,17H2,1H3
InChIKeyRUHGGJCTJWQPPJ-UHFFFAOYSA-N
XLogP4.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
CID 174355593
ethyl 2-(2,5-dioxopyrrolidin-1-yl)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 804976
ethyl 2-amino-4-phenylthiophene-3-carboxylate;ethyl 2-cyano-3-phenylbut-2-enoate
CID 158643545

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate (CID 14142699) is ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C3CC3)cc2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate?
The InChIKey is RUHGGJCTJWQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4,17H2,1H3.
What are the key properties of ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 14142699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).