3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C23H29N3O4S — CID 91911239

IUPAC3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-31(29,30)21-9-6-18(7-10-21)12-15-25-22(27)11-8-19-13-16-26(17-14-19)23(28)20-4-2-1-3-5-20/h1-7,9-10,19H,8,11-17H2,(H,25,27)(H2,24,29,30)
InChIKeyMKZUVODSKDBYIO-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.33
Rot. Bonds8

About 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 91911239) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID91911239
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-31(29,30)21-9-6-18(7-10-21)12-15-25-22(27)11-8-19-13-16-26(17-14-19)23(28)20-4-2-1-3-5-20/h1-7,9-10,19H,8,11-17H2,(H,25,27)(H2,24,29,30)
InChIKeyMKZUVODSKDBYIO-UHFFFAOYSA-N
XLogP2.33
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 56526997
4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
4-[2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]ethyl]benzenesulfonamide
CID 177234133

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 91911239) is 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCC2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is MKZUVODSKDBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c24-31(29,30)21-9-6-18(7-10-21)12-15-25-22(27)11-8-19-13-16-26(17-14-19)23(28)20-4-2-1-3-5-20/h1-7,9-10,19H,8,11-17H2,(H,25,27)(H2,24,29,30).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 443.57 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 91911239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).