N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide

C17H25N3O4S — CID 17248838

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(2)19-17(22)16(21)18-12-14-6-8-15(9-7-14)25(23,24)20-10-4-3-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUBRTYTAYDWWWCD-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.00
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide (PubChem CID 17248838) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
PubChem CID17248838
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(2)19-17(22)16(21)18-12-14-6-8-15(9-7-14)25(23,24)20-10-4-3-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUBRTYTAYDWWWCD-UHFFFAOYSA-N
XLogP1.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
N'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248850
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
1-[1-(4-chlorophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928242
2-methyl-1-(3-methylbutan-2-yl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111001211
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248888

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide (CID 17248838) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The InChIKey is UBRTYTAYDWWWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13(2)19-17(22)16(21)18-12-14-6-8-15(9-7-14)25(23,24)20-10-4-3-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide has a molecular weight of 367.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 17248838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).