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

C21H21N3O3S — CID 1137913

IUPAC2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-17-9-11-20(12-10-17)28(26,27)24(19-7-3-2-4-8-19)16-21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyXLWLTEGSJWQUQJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.90
Rot. Bonds7

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

2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1137913) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1137913
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-17-9-11-20(12-10-17)28(26,27)24(19-7-3-2-4-8-19)16-21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyXLWLTEGSJWQUQJ-UHFFFAOYSA-N
XLogP2.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51343851
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344652
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 1129943
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 1235274
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 1137913) is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XLWLTEGSJWQUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-17-9-11-20(12-10-17)28(26,27)24(19-7-3-2-4-8-19)16-21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25).
What are the key properties of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1137913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).