1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone

C15H17FN2O2S — CID 103424999

IUPAC1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(NCCc2ccc(F)cc2)sc(C(C)=O)c1N
InChIInChI=1S/C15H17FN2O2S/c1-9(19)14-12(17)13(20-2)15(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,18H,7-8,17H2,1-2H3
InChIKeyQIEFDEPDKUIDQR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds6

About 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone (PubChem CID 103424999) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
PubChem CID103424999
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(NCCc2ccc(F)cc2)sc(C(C)=O)c1N
InChIInChI=1S/C15H17FN2O2S/c1-9(19)14-12(17)13(20-2)15(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,18H,7-8,17H2,1-2H3
InChIKeyQIEFDEPDKUIDQR-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766
1-[3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103507754
3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
CID 103525854
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
3-amino-4-methoxy-N-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106424949
1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
CID 106412803
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 104528229
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone (CID 103424999) is 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone is COc1c(NCCc2ccc(F)cc2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone?
The InChIKey is QIEFDEPDKUIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9(19)14-12(17)13(20-2)15(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,18H,7-8,17H2,1-2H3.
What are the key properties of 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103424999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).