N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide

C16H26N4O3S — CID 110606260

IUPACN-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N4O3S/c1-13(2)19-24(22,23)17-12-16(21)18-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyFPGARFYEWOTLGB-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.45
Rot. Bonds7

About N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide

N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide (PubChem CID 110606260) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
PubChem CID110606260
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N4O3S/c1-13(2)19-24(22,23)17-12-16(21)18-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyFPGARFYEWOTLGB-UHFFFAOYSA-N
XLogP1.45
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606284
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113148782
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide (CID 110606260) is N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide is CC(C)NS(=O)(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide?
The InChIKey is FPGARFYEWOTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-13(2)19-24(22,23)17-12-16(21)18-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9,13,17,19H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide?
N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide has a molecular weight of 354.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide is sourced from PubChem (CID 110606260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).