3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

C19H24N2O3S — CID 110410639

IUPAC3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-6-8-17(9-7-16)25(23,24)12-10-18(22)21-14-15-5-4-11-20-13-15/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,22)
InChIKeyCISZWFSQZLOWJX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.86
Rot. Bonds6

About 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110410639) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110410639
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-6-8-17(9-7-16)25(23,24)12-10-18(22)21-14-15-5-4-11-20-13-15/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,22)
InChIKeyCISZWFSQZLOWJX-UHFFFAOYSA-N
XLogP2.86
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 56963458
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide (CID 110410639) is 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CISZWFSQZLOWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)16-6-8-17(9-7-16)25(23,24)12-10-18(22)21-14-15-5-4-11-20-13-15/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide?
3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).