2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H31N3O3S — CID 9045319

IUPAC2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-18-7-8-20(19(2)15-18)16-25(3)17-23(27)24-21-9-11-22(12-10-21)30(28,29)26-13-5-4-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)
InChIKeyWYRWQJJRHGPWIX-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.55
Rot. Bonds7

About 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9045319) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID9045319
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-18-7-8-20(19(2)15-18)16-25(3)17-23(27)24-21-9-11-22(12-10-21)30(28,29)26-13-5-4-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)
InChIKeyWYRWQJJRHGPWIX-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 17477585
2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9227950
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 9045319) is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WYRWQJJRHGPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-7-8-20(19(2)15-18)16-25(3)17-23(27)24-21-9-11-22(12-10-21)30(28,29)26-13-5-4-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9045319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).