4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C26H30N2O4S — CID 21007693

IUPAC4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)C(CNC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-32-22-12-14-23(15-13-22)33(30,31)24(20-7-6-16-27-17-20)18-28-25(29)19-8-10-21(11-9-19)26(2,3)4/h6-17,24H,5,18H2,1-4H3,(H,28,29)
InChIKeyALPRVOBYUFDQHQ-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.72
Rot. Bonds8

About 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 21007693) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID21007693
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)C(CNC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-32-22-12-14-23(15-13-22)33(30,31)24(20-7-6-16-27-17-20)18-28-25(29)19-8-10-21(11-9-19)26(2,3)4/h6-17,24H,5,18H2,1-4H3,(H,28,29)
InChIKeyALPRVOBYUFDQHQ-UHFFFAOYSA-N
XLogP4.72
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
1-cyclohexyl-3-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]urea
CID 21007706
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 21007693) is 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is CCOc1ccc(S(=O)(=O)C(CNC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is ALPRVOBYUFDQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-32-22-12-14-23(15-13-22)33(30,31)24(20-7-6-16-27-17-20)18-28-25(29)19-8-10-21(11-9-19)26(2,3)4/h6-17,24H,5,18H2,1-4H3,(H,28,29).
What are the key properties of 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 21007693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).