N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide

C14H16N2O3S — CID 868846

IUPACN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccoc2C)c1C(N)=O
InChIInChI=1S/C14H16N2O3S/c1-4-9-8(3)20-14(11(9)12(15)17)16-13(18)10-5-6-19-7(10)2/h5-6H,4H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVALPCZQLSVAUBX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.87
Rot. Bonds4

About N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 868846) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
PubChem CID868846
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccoc2C)c1C(N)=O
InChIInChI=1S/C14H16N2O3S/c1-4-9-8(3)20-14(11(9)12(15)17)16-13(18)10-5-6-19-7(10)2/h5-6H,4H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVALPCZQLSVAUBX-UHFFFAOYSA-N
XLogP2.87
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide (CID 868846) is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is VALPCZQLSVAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-9-8(3)20-14(11(9)12(15)17)16-13(18)10-5-6-19-7(10)2/h5-6H,4H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide?
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 868846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).