1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one

C16H20N2O2S — CID 106262781

IUPAC1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCc2ccccc2OC)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-13(19)16-12(17)10-15(21-16)18-9-8-11-6-4-5-7-14(11)20-2/h4-7,10,18H,3,8-9,17H2,1-2H3
InChIKeyCCKRPDMXSWGYJJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one

1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one (PubChem CID 106262781) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
PubChem CID106262781
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCc2ccccc2OC)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-13(19)16-12(17)10-15(21-16)18-9-8-11-6-4-5-7-14(11)20-2/h4-7,10,18H,3,8-9,17H2,1-2H3
InChIKeyCCKRPDMXSWGYJJ-UHFFFAOYSA-N
XLogP3.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophene-2-carboxamide
CID 106262787
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708
1-[3-amino-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]propan-1-one
CID 103506034
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one (CID 106262781) is 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NCCc2ccccc2OC)cc1N.
What is the InChIKey of 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one?
The InChIKey is CCKRPDMXSWGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13(19)16-12(17)10-15(21-16)18-9-8-11-6-4-5-7-14(11)20-2/h4-7,10,18H,3,8-9,17H2,1-2H3.
What are the key properties of 1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one has a molecular weight of 304.42 g/mol, XLogP of 3.59, 7 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-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 106262781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).