N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide

C17H15NO2S — CID 24613812

IUPACN-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccoc2)c2cccs2)cc1
InChIInChI=1S/C17H15NO2S/c1-12-4-6-13(7-5-12)16(15-3-2-10-21-15)18-17(19)14-8-9-20-11-14/h2-11,16H,1H3,(H,18,19)
InChIKeyGEUKOPGOATZTHE-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.17
Rot. Bonds4

About N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide

N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide (PubChem CID 24613812) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
PubChem CID24613812
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccoc2)c2cccs2)cc1
InChIInChI=1S/C17H15NO2S/c1-12-4-6-13(7-5-12)16(15-3-2-10-21-15)18-17(19)14-8-9-20-11-14/h2-11,16H,1H3,(H,18,19)
InChIKeyGEUKOPGOATZTHE-UHFFFAOYSA-N
XLogP4.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
4-ethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 24613770
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 24613765
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18775060

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide (CID 24613812) is N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide is Cc1ccc(C(NC(=O)c2ccoc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide?
The InChIKey is GEUKOPGOATZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-4-6-13(7-5-12)16(15-3-2-10-21-15)18-17(19)14-8-9-20-11-14/h2-11,16H,1H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide?
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide is sourced from PubChem (CID 24613812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).