4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide

C21H19NO4S — CID 158647953

IUPAC4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)CCc2ccc(C(=O)NCc3ccco3)cc2)s1
InChIInChI=1S/C21H19NO4S/c1-14(23)19-10-11-20(27-19)18(24)9-6-15-4-7-16(8-5-15)21(25)22-13-17-3-2-12-26-17/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,22,25)
InChIKeyUFMNQHFFBADQKB-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.29
Rot. Bonds8

About 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide

4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 158647953) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID158647953
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)CCc2ccc(C(=O)NCc3ccco3)cc2)s1
InChIInChI=1S/C21H19NO4S/c1-14(23)19-10-11-20(27-19)18(24)9-6-15-4-7-16(8-5-15)21(25)22-13-17-3-2-12-26-17/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,22,25)
InChIKeyUFMNQHFFBADQKB-UHFFFAOYSA-N
XLogP4.29
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide (CID 158647953) is 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide is CC(=O)c1ccc(C(=O)CCc2ccc(C(=O)NCc3ccco3)cc2)s1.
What is the InChIKey of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UFMNQHFFBADQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-14(23)19-10-11-20(27-19)18(24)9-6-15-4-7-16(8-5-15)21(25)22-13-17-3-2-12-26-17/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,22,25).
What are the key properties of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 381.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 158647953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).