4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C24H28N2O2S — CID 121084565

IUPAC4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C24H28N2O2S/c1-24(2,3)21-12-14-23(15-13-21)29(27,28)26(19-22-11-7-8-17-25-22)18-16-20-9-5-4-6-10-20/h4-15,17H,16,18-19H2,1-3H3
InChIKeyRXAVATRDDGSVGM-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.81
Rot. Bonds7

About 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 121084565) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID121084565
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C24H28N2O2S/c1-24(2,3)21-12-14-23(15-13-21)29(27,28)26(19-22-11-7-8-17-25-22)18-16-20-9-5-4-6-10-20/h4-15,17H,16,18-19H2,1-3H3
InChIKeyRXAVATRDDGSVGM-UHFFFAOYSA-N
XLogP4.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71796625
4-(2-chloroethyl)-N-(3-methoxypropyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 4209599
2-[3-[[(4-tert-butylphenyl)sulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenoxy]acetic acid
CID 177380868
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 1120654
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084753
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 121084565) is 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is RXAVATRDDGSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-24(2,3)21-12-14-23(15-13-21)29(27,28)26(19-22-11-7-8-17-25-22)18-16-20-9-5-4-6-10-20/h4-15,17H,16,18-19H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 408.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 121084565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).