N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

C23H28N2O4S — CID 166332182

IUPACN-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1S(=O)(=O)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C23H28N2O4S/c1-4-17-12-9-13-18(5-2)22(17)30(28,29)24-23(27)20-14-21(26)25(15-20)16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyPWJCCLMPAPGYLR-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.23
Rot. Bonds7

About N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 166332182) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID166332182
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1S(=O)(=O)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C23H28N2O4S/c1-4-17-12-9-13-18(5-2)22(17)30(28,29)24-23(27)20-14-21(26)25(15-20)16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyPWJCCLMPAPGYLR-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
(3R)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40938053
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
N-(2-benzylphenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 42916089
2-[3-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152670
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572255
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119521311
5-oxo-1-(1-phenylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfonyl)pyrrolidine-3-carboxamide
CID 166332243
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 166332182) is N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is CCc1cccc(CC)c1S(=O)(=O)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is PWJCCLMPAPGYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-17-12-9-13-18(5-2)22(17)30(28,29)24-23(27)20-14-21(26)25(15-20)16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)sulfonyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166332182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).