2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide

C13H20N2O2S — CID 142795809

IUPAC2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C)c1C(N)=O)C1CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-3-15(10-4-6-17-7-5-10)13-11(12(14)16)9(2)8-18-13/h8,10H,3-7H2,1-2H3,(H2,14,16)
InChIKeyAERMNVBVTDGDTH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.16
Rot. Bonds4

About 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide

2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide (PubChem CID 142795809) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
PubChem CID142795809
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C)c1C(N)=O)C1CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-3-15(10-4-6-17-7-5-10)13-11(12(14)16)9(2)8-18-13/h8,10H,3-7H2,1-2H3,(H2,14,16)
InChIKeyAERMNVBVTDGDTH-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide 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

5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-N-((1,4,6-trimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)thiophene-3-carboxamide
CID 86763596
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 86764912
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 117816319
2-[Ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
CID 142795811
5-[Ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
CID 142795812
5-[Ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride
CID 142795819
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795821
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
N-[(2,4-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 158131862
4-Methyl-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 164709707

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide (CID 142795809) is 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide is CCN(c1scc(C)c1C(N)=O)C1CCOCC1.
What is the InChIKey of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide?
The InChIKey is AERMNVBVTDGDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-15(10-4-6-17-7-5-10)13-11(12(14)16)9(2)8-18-13/h8,10H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide?
2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 142795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).