N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide

C17H24N2O3S — CID 30125962

IUPACN-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C17H24N2O3S/c20-17(15-6-7-15)18-11-10-14-4-8-16(9-5-14)23(21,22)19-12-2-1-3-13-19/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,18,20)
InChIKeyVEAJHTBVMZNIGH-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide

N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 30125962) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID30125962
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C17H24N2O3S/c20-17(15-6-7-15)18-11-10-14-4-8-16(9-5-14)23(21,22)19-12-2-1-3-13-19/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,18,20)
InChIKeyVEAJHTBVMZNIGH-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
1-(4-methylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594170

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide (CID 30125962) is N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1.
What is the InChIKey of N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is VEAJHTBVMZNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(15-6-7-15)18-11-10-14-4-8-16(9-5-14)23(21,22)19-12-2-1-3-13-19/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,18,20).
What are the key properties of N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 30125962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).