N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide

C20H20N2O3S — CID 55877532

IUPACN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c(C)s1
InChIInChI=1S/C20H20N2O3S/c1-13-9-18(14(2)26-13)20(24)21-11-15-5-3-6-16(10-15)19(23)22-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVMMWVFWZVPQJJV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.82
Rot. Bonds6

About N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 55877532) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID55877532
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c(C)s1
InChIInChI=1S/C20H20N2O3S/c1-13-9-18(14(2)26-13)20(24)21-11-15-5-3-6-16(10-15)19(23)22-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVMMWVFWZVPQJJV-UHFFFAOYSA-N
XLogP3.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111938296
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111940398

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide (CID 55877532) is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c(C)s1.
What is the InChIKey of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is VMMWVFWZVPQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-9-18(14(2)26-13)20(24)21-11-15-5-3-6-16(10-15)19(23)22-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 55877532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).