N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide

C20H24N2O4S — CID 7564631

IUPACN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(N2C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)c1
InChIInChI=1S/C20H24N2O4S/c1-13-8-14(2)20(15(3)9-13)27(24,25)21-16-10-19(23)22(12-16)17-6-5-7-18(11-17)26-4/h5-9,11,16,21H,10,12H2,1-4H3/t16-/m1/s1
InChIKeyMJHZLAJTPUSJQF-MRXNPFEDSA-N
MW388.49 g/mol
LogP2.70
Rot. Bonds5

About N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 7564631) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID7564631
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(N2C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)c1
InChIInChI=1S/C20H24N2O4S/c1-13-8-14(2)20(15(3)9-13)27(24,25)21-16-10-19(23)22(12-16)17-6-5-7-18(11-17)26-4/h5-9,11,16,21H,10,12H2,1-4H3/t16-/m1/s1
InChIKeyMJHZLAJTPUSJQF-MRXNPFEDSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7564634
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850
1-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide (CID 7564631) is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide is COc1cccc(N2C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)c1.
What is the InChIKey of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is MJHZLAJTPUSJQF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-8-14(2)20(15(3)9-13)27(24,25)21-16-10-19(23)22(12-16)17-6-5-7-18(11-17)26-4/h5-9,11,16,21H,10,12H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 7564631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).