2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C24H33N3O6S2 — CID 4017025

IUPAC2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33N3O6S2/c1-19(2)12-13-27(35(31,32)22-8-4-20(3)5-9-22)18-24(28)25-21-6-10-23(11-7-21)34(29,30)26-14-16-33-17-15-26/h4-11,19H,12-18H2,1-3H3,(H,25,28)
InChIKeyCOXWNKYQFBHGOQ-UHFFFAOYSA-N
MW523.68 g/mol
LogP2.69
Rot. Bonds10

About 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4017025) has the molecular formula C24H33N3O6S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4017025
Molecular FormulaC24H33N3O6S2
Molecular Weight523.68 g/mol
Exact Mass523.18
IUPAC Name2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33N3O6S2/c1-19(2)12-13-27(35(31,32)22-8-4-20(3)5-9-22)18-24(28)25-21-6-10-23(11-7-21)34(29,30)26-14-16-33-17-15-26/h4-11,19H,12-18H2,1-3H3,(H,25,28)
InChIKeyCOXWNKYQFBHGOQ-UHFFFAOYSA-N
XLogP2.69
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4151402
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 3185266
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4655484
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4017025) is 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is COXWNKYQFBHGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S2/c1-19(2)12-13-27(35(31,32)22-8-4-20(3)5-9-22)18-24(28)25-21-6-10-23(11-7-21)34(29,30)26-14-16-33-17-15-26/h4-11,19H,12-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 523.68 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4017025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).