N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide

C15H17NO3S — CID 72717480

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C15H17NO3S/c1-10(2)8-14(17)16-9-11-5-6-13(20-11)15(18)12-4-3-7-19-12/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyNLCRHIMFKVPXEP-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.23
Rot. Bonds6

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide (PubChem CID 72717480) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
PubChem CID72717480
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C15H17NO3S/c1-10(2)8-14(17)16-9-11-5-6-13(20-11)15(18)12-4-3-7-19-12/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyNLCRHIMFKVPXEP-UHFFFAOYSA-N
XLogP3.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99873315
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 72717520

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide (CID 72717480) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1ccc(C(=O)c2ccco2)s1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide?
The InChIKey is NLCRHIMFKVPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10(2)8-14(17)16-9-11-5-6-13(20-11)15(18)12-4-3-7-19-12/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide has a molecular weight of 291.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 72717480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).