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

C21H23NO4S — CID 158158477

IUPAC4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)CCc2ccc(C(=O)NCC3CCCO3)cc2)s1
InChIInChI=1S/C21H23NO4S/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/h4-5,7-8,10-11,17H,2-3,6,9,12-13H2,1H3,(H,22,25)
InChIKeyUOGBURYVAAPZMD-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.67
Rot. Bonds8

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

4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 158158477) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID158158477
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)c1ccc(C(=O)CCc2ccc(C(=O)NCC3CCCO3)cc2)s1
InChIInChI=1S/C21H23NO4S/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/h4-5,7-8,10-11,17H,2-3,6,9,12-13H2,1H3,(H,22,25)
InChIKeyUOGBURYVAAPZMD-UHFFFAOYSA-N
XLogP3.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 7484812
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(acetylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427582

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide (CID 158158477) is 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-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-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UOGBURYVAAPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/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/h4-5,7-8,10-11,17H,2-3,6,9,12-13H2,1H3,(H,22,25).
What are the key properties of 4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.67, 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-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 158158477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).