4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C17H24N2O5S — CID 55480449

IUPAC4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H24N2O5S/c1-13(20)14-3-5-16(6-4-14)25(22,23)18-10-7-17(21)19-11-8-15(24-2)9-12-19/h3-6,15,18H,7-12H2,1-2H3
InChIKeyDNSLSRNGTHFNFR-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.20
Rot. Bonds7

About 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 55480449) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID55480449
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H24N2O5S/c1-13(20)14-3-5-16(6-4-14)25(22,23)18-10-7-17(21)19-11-8-15(24-2)9-12-19/h3-6,15,18H,7-12H2,1-2H3
InChIKeyDNSLSRNGTHFNFR-UHFFFAOYSA-N
XLogP1.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55850851
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 31688731
4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55330245
4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 110626322
4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99789398
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119560534

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 55480449) is 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is COC1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is DNSLSRNGTHFNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13(20)14-3-5-16(6-4-14)25(22,23)18-10-7-17(21)19-11-8-15(24-2)9-12-19/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).