2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide

C22H23N3O3S — CID 1160770

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H23N3O3S/c1-17-9-8-13-21(18(17)2)25(29(27,28)20-11-4-3-5-12-20)16-22(26)24-15-19-10-6-7-14-23-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyNQEVRDKAQHMUSF-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.21
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1160770) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1160770
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H23N3O3S/c1-17-9-8-13-21(18(17)2)25(29(27,28)20-11-4-3-5-12-20)16-22(26)24-15-19-10-6-7-14-23-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyNQEVRDKAQHMUSF-UHFFFAOYSA-N
XLogP3.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46778185
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92676343
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 3249148
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
CID 2271697
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide (CID 1160770) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide is Cc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NQEVRDKAQHMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-9-8-13-21(18(17)2)25(29(27,28)20-11-4-3-5-12-20)16-22(26)24-15-19-10-6-7-14-23-19/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1160770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).