2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C22H23N3O3S — CID 51343851

IUPAC2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(C)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-8-10-21(11-9-17)29(27,28)25(20-7-3-5-18(2)13-20)16-22(26)24-15-19-6-4-12-23-14-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyFFRFDEMKRAVOGF-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.21
Rot. Bonds7

About 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 51343851) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID51343851
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(C)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-8-10-21(11-9-17)29(27,28)25(20-7-3-5-18(2)13-20)16-22(26)24-15-19-6-4-12-23-14-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyFFRFDEMKRAVOGF-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-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344652
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 4783728
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1306878
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 1129943

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 51343851) is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FFRFDEMKRAVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-8-10-21(11-9-17)29(27,28)25(20-7-3-5-18(2)13-20)16-22(26)24-15-19-6-4-12-23-14-19/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-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-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 51343851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).