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

C19H17NO3S — CID 90612127

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2ccc(C(=O)c3ccco3)s2)c1
InChIInChI=1S/C19H17NO3S/c1-13-4-2-5-14(10-13)11-18(21)20-12-15-7-8-17(24-15)19(22)16-6-3-9-23-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyBYDKKNAIKLHHTK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.74
Rot. Bonds6

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

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 90612127) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID90612127
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2ccc(C(=O)c3ccco3)s2)c1
InChIInChI=1S/C19H17NO3S/c1-13-4-2-5-14(10-13)11-18(21)20-12-15-7-8-17(24-15)19(22)16-6-3-9-23-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyBYDKKNAIKLHHTK-UHFFFAOYSA-N
XLogP3.74
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
(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]pyridine-4-carboxamide
CID 90612101
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613186
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99873315

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide (CID 90612127) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2ccc(C(=O)c3ccco3)s2)c1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is BYDKKNAIKLHHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-4-2-5-14(10-13)11-18(21)20-12-15-7-8-17(24-15)19(22)16-6-3-9-23-16/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.74, 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]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 90612127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).