2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide

C13H15NO2S — CID 32986981

IUPAC2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sccc2C)c(C)o1
InChIInChI=1S/C13H15NO2S/c1-8-4-5-17-12(8)7-14-13(15)11-6-9(2)16-10(11)3/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNGGQEUHUCPLKQL-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide (PubChem CID 32986981) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
PubChem CID32986981
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2sccc2C)c(C)o1
InChIInChI=1S/C13H15NO2S/c1-8-4-5-17-12(8)7-14-13(15)11-6-9(2)16-10(11)3/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNGGQEUHUCPLKQL-UHFFFAOYSA-N
XLogP3.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137429
3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 107872948
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide (CID 32986981) is 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2sccc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The InChIKey is NGGQEUHUCPLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-8-4-5-17-12(8)7-14-13(15)11-6-9(2)16-10(11)3/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 32986981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).