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

C13H21ClN2O2S — CID 142795826

IUPAC2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
SMILESCCN(c1scc(C)c1C(N)=O)C1CCOCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/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);1H
InChIKeyVRSYPFPSRGIGOF-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.58
Rot. Bonds4

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

2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride (PubChem CID 142795826) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
PubChem CID142795826
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
SMILESCCN(c1scc(C)c1C(N)=O)C1CCOCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/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);1H
InChIKeyVRSYPFPSRGIGOF-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795821
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
CID 129273860
5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 142795805
4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxylic acid
CID 141422273
N-[(3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 145148781
methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate
CID 126623935
1-[5-[ethyl-(4-methylcyclohexyl)amino]-4-methylthiophen-3-yl]propan-1-one
CID 129273851
ethyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 90273001
1-[5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylphenyl]ethanone
CID 129108651
CID 144610773
CID 144610773
5-cyano-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acid
CID 156784024

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride (CID 142795826) is 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride is CCN(c1scc(C)c1C(N)=O)C1CCOCC1.Cl.
What is the InChIKey of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride?
The InChIKey is VRSYPFPSRGIGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/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);1H.
What are the key properties of 2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride?
2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.58, 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;hydrochloride is sourced from PubChem (CID 142795826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).