2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

C17H26N2O3S — CID 51198880

IUPAC2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-7-9-15(10-8-14)23(21,22)19-11-5-4-6-12-19/h7-10H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyMOQUGSVDVIJOFO-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.52
Rot. Bonds4

About 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 51198880) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID51198880
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-7-9-15(10-8-14)23(21,22)19-11-5-4-6-12-19/h7-10H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyMOQUGSVDVIJOFO-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 120589424
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562799
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
N-tert-butyl-2-[[N'-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111385780
5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
CID 55650330

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide (CID 51198880) is 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide is CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is MOQUGSVDVIJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-7-9-15(10-8-14)23(21,22)19-11-5-4-6-12-19/h7-10H,4-6,11-13H2,1-3H3,(H,18,20).
What are the key properties of 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 51198880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).