N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide

C21H27N3O3S — CID 1318327

IUPACN-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-6-9-19(10-7-16)24(28(26,27)23-12-4-5-13-23)15-21(25)22-20-11-8-17(2)14-18(20)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyKPKRIBSBGLGICC-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.40
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 1318327) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID1318327
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-6-9-19(10-7-16)24(28(26,27)23-12-4-5-13-23)15-21(25)22-20-11-8-17(2)14-18(20)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyKPKRIBSBGLGICC-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 1318327) is N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is KPKRIBSBGLGICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-6-9-19(10-7-16)24(28(26,27)23-12-4-5-13-23)15-21(25)22-20-11-8-17(2)14-18(20)3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-methyl-N-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 1318327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).