2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide

C22H23N3O3S — CID 22304868

IUPAC2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
SMILESCC(C)c1ccc(NCC(=O)Nc2cccnc2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-16(2)17-10-11-20(24-15-22(26)25-18-7-6-12-23-14-18)21(13-17)29(27,28)19-8-4-3-5-9-19/h3-14,16,24H,15H2,1-2H3,(H,25,26)
InChIKeyANNGIZVHXHVVHQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.09
Rot. Bonds7

About 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide

2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide (PubChem CID 22304868) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
PubChem CID22304868
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
SMILESCC(C)c1ccc(NCC(=O)Nc2cccnc2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3S/c1-16(2)17-10-11-20(24-15-22(26)25-18-7-6-12-23-14-18)21(13-17)29(27,28)19-8-4-3-5-9-19/h3-14,16,24H,15H2,1-2H3,(H,25,26)
InChIKeyANNGIZVHXHVVHQ-UHFFFAOYSA-N
XLogP4.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
CID 66634725
2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide
CID 22303708
2-[2-(benzenesulfonyl)-4-nitroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 22304531
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 22305034
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
CID 851940
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide (CID 22304868) is 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide is CC(C)c1ccc(NCC(=O)Nc2cccnc2)c(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide?
The InChIKey is ANNGIZVHXHVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16(2)17-10-11-20(24-15-22(26)25-18-7-6-12-23-14-18)21(13-17)29(27,28)19-8-4-3-5-9-19/h3-14,16,24H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide?
2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide has a molecular weight of 409.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 22304868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).