5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride

C18H31ClN4O2S — CID 142795819

IUPAC5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride
SMILESCCN(c1sc(N2CCN(C)CC2)c(C(N)=O)c1C)C1CCOCC1.Cl
InChIInChI=1S/C18H30N4O2S.ClH/c1-4-22(14-5-11-24-12-6-14)17-13(2)15(16(19)23)18(25-17)21-9-7-20(3)8-10-21;/h14H,4-12H2,1-3H3,(H2,19,23);1H
InChIKeyLCXPAATWMVPSPS-UHFFFAOYSA-N
MW402.99 g/mol
LogP2.33
Rot. Bonds5

About 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride

5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride (PubChem CID 142795819) has the molecular formula C18H31ClN4O2S and a molecular weight of 402.99 g/mol. Its IUPAC name is 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride
PubChem CID142795819
Molecular FormulaC18H31ClN4O2S
Molecular Weight402.99 g/mol
Exact Mass402.19
IUPAC Name5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride
SMILESCCN(c1sc(N2CCN(C)CC2)c(C(N)=O)c1C)C1CCOCC1.Cl
InChIInChI=1S/C18H30N4O2S.ClH/c1-4-22(14-5-11-24-12-6-14)17-13(2)15(16(19)23)18(25-17)21-9-7-20(3)8-10-21;/h14H,4-12H2,1-3H3,(H2,19,23);1H
InChIKeyLCXPAATWMVPSPS-UHFFFAOYSA-N
XLogP2.33
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.99
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
CID 86764036
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride
CID 117679868
N-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
CID 140317230
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-isocyano-4-methylthiophene-3-carboxamide
CID 140752945
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 142795809
5-[Ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
CID 142795812
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-isocyano-4-methylthiophene-3-carboxamide;hydrochloride
CID 157417554

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride (CID 142795819) is 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride is CCN(c1sc(N2CCN(C)CC2)c(C(N)=O)c1C)C1CCOCC1.Cl.
What is the InChIKey of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is LCXPAATWMVPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S.ClH/c1-4-22(14-5-11-24-12-6-14)17-13(2)15(16(19)23)18(25-17)21-9-7-20(3)8-10-21;/h14H,4-12H2,1-3H3,(H2,19,23);1H.
What are the key properties of 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride?
5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 402.99 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 142795819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).