3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide

C13H13F2N3O2S — CID 103525854

IUPAC3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NCc2ccc(F)cc2F)sc(C(N)=O)c1N
InChIInChI=1S/C13H13F2N3O2S/c1-20-10-9(16)11(12(17)19)21-13(10)18-5-6-2-3-7(14)4-8(6)15/h2-4,18H,5,16H2,1H3,(H2,17,19)
InChIKeyBOWFHEWYNGYTEY-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.33
Rot. Bonds5

About 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide

3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide (PubChem CID 103525854) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
PubChem CID103525854
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NCc2ccc(F)cc2F)sc(C(N)=O)c1N
InChIInChI=1S/C13H13F2N3O2S/c1-20-10-9(16)11(12(17)19)21-13(10)18-5-6-2-3-7(14)4-8(6)15/h2-4,18H,5,16H2,1H3,(H2,17,19)
InChIKeyBOWFHEWYNGYTEY-UHFFFAOYSA-N
XLogP2.33
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
1-[3-amino-5-[(2,4-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103525840
3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103507750
1-[3-amino-5-[2-(2-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103425707
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572
methyl 2-amino-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 62227778
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
CID 43689253
3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434587

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide (CID 103525854) is 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide is COc1c(NCc2ccc(F)cc2F)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide?
The InChIKey is BOWFHEWYNGYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-20-10-9(16)11(12(17)19)21-13(10)18-5-6-2-3-7(14)4-8(6)15/h2-4,18H,5,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide?
3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,4-difluorophenyl)methylamino]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103525854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).