1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide

C24H32N2O3S — CID 42998415

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-18(19-8-6-5-7-9-19)25-23(27)20-14-16-26(17-15-20)30(28,29)22-12-10-21(11-13-22)24(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,25,27)
InChIKeyCGJHYVIQSKZRCQ-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 42998415) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID42998415
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-18(19-8-6-5-7-9-19)25-23(27)20-14-16-26(17-15-20)30(28,29)22-12-10-21(11-13-22)24(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,25,27)
InChIKeyCGJHYVIQSKZRCQ-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95601230
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]piperidine-3-carboxamide
CID 100659484
1-(benzenesulfonyl)-N-[1-(3-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43872998
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 27783378
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide (CID 42998415) is 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CGJHYVIQSKZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18(19-8-6-5-7-9-19)25-23(27)20-14-16-26(17-15-20)30(28,29)22-12-10-21(11-13-22)24(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,25,27).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42998415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).