N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide

C14H16N2O3S — CID 47126244

IUPACN-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)16(2)13(17)9-15-14(18)11-5-3-7-19-11/h3-8,10H,9H2,1-2H3,(H,15,18)
InChIKeyZJPHOBISTRWZDT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.29
Rot. Bonds5

About N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 47126244) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID47126244
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)16(2)13(17)9-15-14(18)11-5-3-7-19-11/h3-8,10H,9H2,1-2H3,(H,15,18)
InChIKeyZJPHOBISTRWZDT-UHFFFAOYSA-N
XLogP2.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 9406398
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51163296
N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide
CID 52512096
N-[2-[[2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3215338
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211419
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211431
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
CID 106853561
2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 47126244) is N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide is CC(c1cccs1)N(C)C(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZJPHOBISTRWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)16(2)13(17)9-15-14(18)11-5-3-7-19-11/h3-8,10H,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 47126244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).