2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide

C23H25N3O3S — CID 1142996

IUPAC2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18(2)19-11-13-21(14-12-19)26(30(28,29)22-9-4-3-5-10-22)17-23(27)25-16-20-8-6-7-15-24-20/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyOPJNOPMSGDRKKS-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.72
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1142996) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1142996
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18(2)19-11-13-21(14-12-19)26(30(28,29)22-9-4-3-5-10-22)17-23(27)25-16-20-8-6-7-15-24-20/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyOPJNOPMSGDRKKS-UHFFFAOYSA-N
XLogP3.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1118184
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-phenylsulfanylpropyl)acetamide
CID 30200074
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(1-phenylpropyl)acetamide
CID 43901870
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343251

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide (CID 1142996) is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide is CC(C)c1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OPJNOPMSGDRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18(2)19-11-13-21(14-12-19)26(30(28,29)22-9-4-3-5-10-22)17-23(27)25-16-20-8-6-7-15-24-20/h3-15,18H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1142996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).