2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide

C25H27N3O4S — CID 142040336

IUPAC2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(N4CCCC4=O)ccc23)cc1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)24(30)26-18-9-11-19(12-10-18)27-33(31,32)22-7-4-6-17-16-20(13-14-21(17)22)28-15-5-8-23(28)29/h4,6-7,9-14,16,27H,5,8,15H2,1-3H3,(H,26,30)
InChIKeyUDXABUKJZITFHS-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.75
Rot. Bonds5

About 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide

2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide (PubChem CID 142040336) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
PubChem CID142040336
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(N4CCCC4=O)ccc23)cc1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)24(30)26-18-9-11-19(12-10-18)27-33(31,32)22-7-4-6-17-16-20(13-14-21(17)22)28-15-5-8-23(28)29/h4,6-7,9-14,16,27H,5,8,15H2,1-3H3,(H,26,30)
InChIKeyUDXABUKJZITFHS-UHFFFAOYSA-N
XLogP4.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 35435866
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30399937
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide (CID 142040336) is 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(N4CCCC4=O)ccc23)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide?
The InChIKey is UDXABUKJZITFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-25(2,3)24(30)26-18-9-11-19(12-10-18)27-33(31,32)22-7-4-6-17-16-20(13-14-21(17)22)28-15-5-8-23(28)29/h4,6-7,9-14,16,27H,5,8,15H2,1-3H3,(H,26,30).
What are the key properties of 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide has a molecular weight of 465.58 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 142040336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).