N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

C13H14N2O3S — CID 7965361

IUPACN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H14N2O3S/c1-15(9-10-4-3-7-19-10)12(16)8-14-13(17)11-5-2-6-18-11/h2-7H,8-9H2,1H3,(H,14,17)
InChIKeyLSUIVCVRRUKYLI-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.73
Rot. Bonds5

About N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7965361) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7965361
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H14N2O3S/c1-15(9-10-4-3-7-19-10)12(16)8-14-13(17)11-5-2-6-18-11/h2-7H,8-9H2,1H3,(H,14,17)
InChIKeyLSUIVCVRRUKYLI-UHFFFAOYSA-N
XLogP1.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 7965361) is N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is CN(Cc1cccs1)C(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is LSUIVCVRRUKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15(9-10-4-3-7-19-10)12(16)8-14-13(17)11-5-2-6-18-11/h2-7H,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7965361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).