N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide

C13H13NO3S — CID 18108046

IUPACN-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccco1
InChIInChI=1S/C13H13NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h1-4,7-8H,5-6,9H2,(H,14,16)
InChIKeyYVFCOZVBVOVLQB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.62
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18108046) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18108046
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccco1
InChIInChI=1S/C13H13NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h1-4,7-8H,5-6,9H2,(H,14,16)
InChIKeyYVFCOZVBVOVLQB-UHFFFAOYSA-N
XLogP2.62
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 18108046) is N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is YVFCOZVBVOVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h1-4,7-8H,5-6,9H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 263.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18108046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).