N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide

C16H22N4O3S — CID 133354622

IUPACN-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1
InChIInChI=1S/C16H22N4O3S/c1-11(2)16(21)19-13-4-3-7-20(10-13)15-6-5-14(24(18,22)23)8-12(15)9-17/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyFTUOEAXWXMDMDJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.95
Rot. Bonds4

About N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide

N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 133354622) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID133354622
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1
InChIInChI=1S/C16H22N4O3S/c1-11(2)16(21)19-13-4-3-7-20(10-13)15-6-5-14(24(18,22)23)8-12(15)9-17/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyFTUOEAXWXMDMDJ-UHFFFAOYSA-N
XLogP0.95
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
CID 133354616
2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide
CID 55828149
(2S)-2-amino-N-[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 50997706
(2S)-2-amino-N-[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]butanamide
CID 50997704
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
CID 133437068
N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 133354657
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 71862458
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide (CID 133354622) is N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1.
What is the InChIKey of N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is FTUOEAXWXMDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11(2)16(21)19-13-4-3-7-20(10-13)15-6-5-14(24(18,22)23)8-12(15)9-17/h5-6,8,11,13H,3-4,7,10H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide?
N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 350.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 133354622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).