propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate

C15H17NO2S — CID 3795665

IUPACpropyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
SMILESCCCOC(=O)c1c(-c2ccc(C)cc2)csc1N
InChIInChI=1S/C15H17NO2S/c1-3-8-18-15(17)13-12(9-19-14(13)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKCBQLCZOZOIVJP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.87
Rot. Bonds4

About propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate

propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate (PubChem CID 3795665) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
PubChem CID3795665
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namepropyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
SMILESCCCOC(=O)c1c(-c2ccc(C)cc2)csc1N
InChIInChI=1S/C15H17NO2S/c1-3-8-18-15(17)13-12(9-19-14(13)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8,16H2,1-2H3
InChIKeyKCBQLCZOZOIVJP-UHFFFAOYSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.87
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-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
(1S,6R)-6-[[4-(4-methylphenyl)-3-propoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27526366
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
ethyl 2-(heptylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 110826907
ethyl 2-(2,5-dioxopyrrolidin-1-yl)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 804976
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate?
The IUPAC name of propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate (CID 3795665) is propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate?
The canonical SMILES for propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate is CCCOC(=O)c1c(-c2ccc(C)cc2)csc1N.
What is the InChIKey of propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate?
The InChIKey is KCBQLCZOZOIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-8-18-15(17)13-12(9-19-14(13)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate?
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 3795665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).