N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide

C22H25N3O5S — CID 25038531

IUPACN-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
SMILESCCC(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C22H25N3O5S/c1-4-15(3)24(21(27)16-7-5-6-14(2)12-16)19-13-20(26)25(22(19)28)17-8-10-18(11-9-17)31(23,29)30/h5-12,15,19H,4,13H2,1-3H3,(H2,23,29,30)
InChIKeyWGABVLDRYLJHEO-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.22
Rot. Bonds6

About N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide

N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide (PubChem CID 25038531) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
PubChem CID25038531
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
SMILESCCC(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C22H25N3O5S/c1-4-15(3)24(21(27)16-7-5-6-14(2)12-16)19-13-20(26)25(22(19)28)17-8-10-18(11-9-17)31(23,29)30/h5-12,15,19H,4,13H2,1-3H3,(H2,23,29,30)
InChIKeyWGABVLDRYLJHEO-UHFFFAOYSA-N
XLogP2.22
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.22
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

N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
N-butan-2-yl-4-chloro-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-nitrobenzamide
CID 25049612
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25042115
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25037176
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25043929
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25036525
N-butan-2-yl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxybenzamide
CID 23745207
methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860694
N-butan-2-yl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23745308
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
CID 23888636
N-butan-2-yl-4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23803417
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methylbenzamide
CID 25046468

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide (CID 25038531) is N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide is CCC(C)N(C(=O)c1cccc(C)c1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide?
The InChIKey is WGABVLDRYLJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-15(3)24(21(27)16-7-5-6-14(2)12-16)19-13-20(26)25(22(19)28)17-8-10-18(11-9-17)31(23,29)30/h5-12,15,19H,4,13H2,1-3H3,(H2,23,29,30).
What are the key properties of N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide?
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide has a molecular weight of 443.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 25038531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).