N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C22H27N3O4S — CID 18154365

IUPACN-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O4S/c1-14-12-15(2)21(16(3)13-14)30(28,29)25-11-5-6-20(25)22(27)24-19-9-7-18(8-10-19)23-17(4)26/h7-10,12-13,20H,5-6,11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyHKZPKNDMYGBVDY-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.36
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 18154365) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID18154365
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H27N3O4S/c1-14-12-15(2)21(16(3)13-14)30(28,29)25-11-5-6-20(25)22(27)24-19-9-7-18(8-10-19)23-17(4)26/h7-10,12-13,20H,5-6,11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyHKZPKNDMYGBVDY-UHFFFAOYSA-N
XLogP3.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154914
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55769566
N-(2-oxochromen-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60522629
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55591182
methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 18155623
N-(5-methyl-2-pyridinyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55523063
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46564791
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517734
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
N-(2,5-dimethoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46516965

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 18154365) is N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HKZPKNDMYGBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-14-12-15(2)21(16(3)13-14)30(28,29)25-11-5-6-20(25)22(27)24-19-9-7-18(8-10-19)23-17(4)26/h7-10,12-13,20H,5-6,11H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18154365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).