1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone

C15H18N2O2S — CID 103432141

IUPAC1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCc2cccc(C)c2)sc(C(C)=O)c1N
InChIInChI=1S/C15H18N2O2S/c1-9-5-4-6-11(7-9)8-17-15-13(19-3)12(16)14(20-15)10(2)18/h4-7,17H,8,16H2,1-3H3
InChIKeyMIPPVOJKSKTNSK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.46
Rot. Bonds5

About 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone

1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone (PubChem CID 103432141) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
PubChem CID103432141
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCc2cccc(C)c2)sc(C(C)=O)c1N
InChIInChI=1S/C15H18N2O2S/c1-9-5-4-6-11(7-9)8-17-15-13(19-3)12(16)14(20-15)10(2)18/h4-7,17H,8,16H2,1-3H3
InChIKeyMIPPVOJKSKTNSK-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
ethyl 5-acetyl-4-methyl-2-[(3-methylphenyl)methylamino]thiophene-3-carboxylate
CID 110827390
1-[3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103507754
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]ethanone
CID 114102753
1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]ethanone
CID 106412803
1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103424999
1-[3-amino-5-[2-(2-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103425707
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138
ethyl 4,5-dimethyl-2-[(3-methylphenyl)methylamino]thiophene-3-carboxylate
CID 110827408
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone (CID 103432141) is 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone is COc1c(NCc2cccc(C)c2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone?
The InChIKey is MIPPVOJKSKTNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-5-4-6-11(7-9)8-17-15-13(19-3)12(16)14(20-15)10(2)18/h4-7,17H,8,16H2,1-3H3.
What are the key properties of 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone has a molecular weight of 290.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103432141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).