N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide

C20H29N3O5S — CID 25045753

IUPACN-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)C(C)(C)C
InChIInChI=1S/C20H29N3O5S/c1-19(2,3)12-17(25)23(20(4,5)6)15-11-16(24)22(18(15)26)13-7-9-14(10-8-13)29(21,27)28/h7-10,15H,11-12H2,1-6H3,(H2,21,27,28)
InChIKeyUBCNQZXQTIVAKO-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.03
Rot. Bonds4

About N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide

N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 25045753) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
PubChem CID25045753
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)C(C)(C)C
InChIInChI=1S/C20H29N3O5S/c1-19(2,3)12-17(25)23(20(4,5)6)15-11-16(24)22(18(15)26)13-7-9-14(10-8-13)29(21,27)28/h7-10,15H,11-12H2,1-6H3,(H2,21,27,28)
InChIKeyUBCNQZXQTIVAKO-UHFFFAOYSA-N
XLogP2.03
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-
CID 215697
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
3,3-dimethyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]butanamide
CID 697580
1-(4-Pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
CID 804289
1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 6497355
1-Phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 3571362
1-{4-[(4-Methylpiperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 19614435
4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propylbenzenesulfonamide
CID 89699688
5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 6462704
N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497269
N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497283
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]pyrrolidine-3-carboxamide
CID 6497362

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide (CID 25045753) is N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is UBCNQZXQTIVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-19(2,3)12-17(25)23(20(4,5)6)15-11-16(24)22(18(15)26)13-7-9-14(10-8-13)29(21,27)28/h7-10,15H,11-12H2,1-6H3,(H2,21,27,28).
What are the key properties of N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide?
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 423.54 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25045753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).