2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C19H29N3O4S — CID 108964998

IUPAC2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H29N3O4S/c1-14-5-4-12-22(13-14)18(24)19(2,3)17(23)21-11-10-15-6-8-16(9-7-15)27(20,25)26/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,23)(H2,20,25,26)
InChIKeyRYPJENFTVAUTKV-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.28
Rot. Bonds6

About 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 108964998) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID108964998
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H29N3O4S/c1-14-5-4-12-22(13-14)18(24)19(2,3)17(23)21-11-10-15-6-8-16(9-7-15)27(20,25)26/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,23)(H2,20,25,26)
InChIKeyRYPJENFTVAUTKV-UHFFFAOYSA-N
XLogP1.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108965042
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
CID 109014333
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108504056
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108965001

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 108964998) is 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC1CCCN(C(=O)C(C)(C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is RYPJENFTVAUTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14-5-4-12-22(13-14)18(24)19(2,3)17(23)21-11-10-15-6-8-16(9-7-15)27(20,25)26/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,23)(H2,20,25,26).
What are the key properties of 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 395.53 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 108964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).