N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

C19H29N3O4S — CID 53277973

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4S/c1-5-27(25,26)22-12-10-14(11-13-22)17(23)20-16-9-7-6-8-15(16)18(24)21-19(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyIZHXJYMPDMMAFN-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 53277973) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID53277973
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4S/c1-5-27(25,26)22-12-10-14(11-13-22)17(23)20-16-9-7-6-8-15(16)18(24)21-19(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyIZHXJYMPDMMAFN-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153142
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 38748916
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99130152
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925648
(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9352665
1-[(3-bromophenyl)methylsulfonyl]-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99939801

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 53277973) is N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is IZHXJYMPDMMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-5-27(25,26)22-12-10-14(11-13-22)17(23)20-16-9-7-6-8-15(16)18(24)21-19(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53277973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).