N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C19H31N3O4S — CID 119639873

IUPACN-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H31N3O4S/c1-4-19(20,5-2)14-21-18(23)15-10-12-22(13-11-15)27(24,25)17-8-6-16(26-3)7-9-17/h6-9,15H,4-5,10-14,20H2,1-3H3,(H,21,23)
InChIKeyNZIGOIFHJIIQKC-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.73
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119639873) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119639873
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H31N3O4S/c1-4-19(20,5-2)14-21-18(23)15-10-12-22(13-11-15)27(24,25)17-8-6-16(26-3)7-9-17/h6-9,15H,4-5,10-14,20H2,1-3H3,(H,21,23)
InChIKeyNZIGOIFHJIIQKC-UHFFFAOYSA-N
XLogP1.73
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 120946639
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 120946638
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 45371494
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 119639873) is N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is CCC(N)(CC)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NZIGOIFHJIIQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-4-19(20,5-2)14-21-18(23)15-10-12-22(13-11-15)27(24,25)17-8-6-16(26-3)7-9-17/h6-9,15H,4-5,10-14,20H2,1-3H3,(H,21,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119639873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).