3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide

C14H16FN3O2S — CID 103427766

IUPAC3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NCCc2cccc(F)c2)sc(C(N)=O)c1N
InChIInChI=1S/C14H16FN3O2S/c1-20-11-10(16)12(13(17)19)21-14(11)18-6-5-8-3-2-4-9(15)7-8/h2-4,7,18H,5-6,16H2,1H3,(H2,17,19)
InChIKeyJPCXPBGZRVVIES-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide

3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide (PubChem CID 103427766) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
PubChem CID103427766
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NCCc2cccc(F)c2)sc(C(N)=O)c1N
InChIInChI=1S/C14H16FN3O2S/c1-20-11-10(16)12(13(17)19)21-14(11)18-6-5-8-3-2-4-9(15)7-8/h2-4,7,18H,5-6,16H2,1H3,(H2,17,19)
InChIKeyJPCXPBGZRVVIES-UHFFFAOYSA-N
XLogP2.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103424999
3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
CID 103525854
4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
CID 103427665
methyl 2-[[2-(3-fluorophenyl)ethylamino]methyl]-3-methylbutanoate
CID 115253437
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600378
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106424949
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide (CID 103427766) is 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide is COc1c(NCCc2cccc(F)c2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide?
The InChIKey is JPCXPBGZRVVIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-20-11-10(16)12(13(17)19)21-14(11)18-6-5-8-3-2-4-9(15)7-8/h2-4,7,18H,5-6,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide?
3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103427766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).