2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H27N3O3S — CID 9080738

IUPAC2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C21H27N3O3S/c1-16-7-6-8-20(17(16)2)22-15-21(25)23-18-9-11-19(12-10-18)28(26,27)24-13-4-3-5-14-24/h6-12,22H,3-5,13-15H2,1-2H3,(H,23,25)
InChIKeyIJHLCKBBSZQRDI-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.53
Rot. Bonds6

About 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9080738) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID9080738
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C21H27N3O3S/c1-16-7-6-8-20(17(16)2)22-15-21(25)23-18-9-11-19(12-10-18)28(26,27)24-13-4-3-5-14-24/h6-12,22H,3-5,13-15H2,1-2H3,(H,23,25)
InChIKeyIJHLCKBBSZQRDI-UHFFFAOYSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083596
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,3-dimethylbenzoate
CID 2572351
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 22307501
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 9080738) is 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IJHLCKBBSZQRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-7-6-8-20(17(16)2)22-15-21(25)23-18-9-11-19(12-10-18)28(26,27)24-13-4-3-5-14-24/h6-12,22H,3-5,13-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9080738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).