N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C20H33N3O3S — CID 119643803

IUPACN-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-19(21,5-2)16-22-18(24)20(17-10-8-7-9-11-17)12-14-23(15-13-20)27(25,26)6-3/h7-11H,4-6,12-16,21H2,1-3H3,(H,22,24)
InChIKeyCTWJSXBBNBWZSW-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.00
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 119643803) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID119643803
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-19(21,5-2)16-22-18(24)20(17-10-8-7-9-11-17)12-14-23(15-13-20)27(25,26)6-3/h7-11H,4-6,12-16,21H2,1-3H3,(H,22,24)
InChIKeyCTWJSXBBNBWZSW-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 119643803) is N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCC(N)(CC)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is CTWJSXBBNBWZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-19(21,5-2)16-22-18(24)20(17-10-8-7-9-11-17)12-14-23(15-13-20)27(25,26)6-3/h7-11H,4-6,12-16,21H2,1-3H3,(H,22,24).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 119643803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).