2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide

C25H33N3O3S — CID 166627163

IUPAC2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESC=CS(=O)(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C25H33N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h5,9-10,13-18,21,23H,1,6-8,11-12H2,2-4H3,(H,27,29)
InChIKeyGWXJIIOOBAFDHM-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.85
Rot. Bonds7

About 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide

2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 166627163) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID166627163
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESC=CS(=O)(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C25H33N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h5,9-10,13-18,21,23H,1,6-8,11-12H2,2-4H3,(H,27,29)
InChIKeyGWXJIIOOBAFDHM-UHFFFAOYSA-N
XLogP4.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-tribromo-N-[(1R)-2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 162396357
4-{3-[bis(methylsulfonyl)amino]-2-pyridinyl}-N-(4-tert-butylphenyl)benzamide
CID 22170442
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)but-2-ynamide
CID 162396331
2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)prop-2-enamide
CID 162396341
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396332
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162396334
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 162396337
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopentyl-2-pyridin-3-ylacetamide
CID 162396338
N-[[6-tert-butyl-2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137650773
BnSO2-D-Nva(Ph)-Abu(pyrid-4-yl)-NHBn(4-amidino)
CID 155529536
2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 964127
N-(4-tert-butylphenyl)-4-(3-(butylsulfonamido)pyridin-2-yl)benzamide
CID 10344437

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 166627163) is 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide is C=CS(=O)(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is GWXJIIOOBAFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h5,9-10,13-18,21,23H,1,6-8,11-12H2,2-4H3,(H,27,29).
What are the key properties of 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 455.62 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 166627163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).