ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate

C14H14ClNO3S — CID 43155561

IUPACethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(Cl)ccc2OC)cc1N
InChIInChI=1S/C14H14ClNO3S/c1-3-19-14(17)13-10(16)7-12(20-13)9-6-8(15)4-5-11(9)18-2/h4-7H,3,16H2,1-2H3
InChIKeyRQDQVOZVDHNQSJ-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.84
Rot. Bonds4

About ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate

ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 43155561) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
PubChem CID43155561
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Nameethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(Cl)ccc2OC)cc1N
InChIInChI=1S/C14H14ClNO3S/c1-3-19-14(17)13-10(16)7-12(20-13)9-6-8(15)4-5-11(9)18-2/h4-7H,3,16H2,1-2H3
InChIKeyRQDQVOZVDHNQSJ-UHFFFAOYSA-N
XLogP3.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 83034408
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate (CID 43155561) is ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2cc(Cl)ccc2OC)cc1N.
What is the InChIKey of ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is RQDQVOZVDHNQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-3-19-14(17)13-10(16)7-12(20-13)9-6-8(15)4-5-11(9)18-2/h4-7H,3,16H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 311.79 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43155561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).