4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide

C22H26N4O5S — CID 31829154

IUPAC4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-2-25(15-13-20(27)24-17-7-5-16(6-8-17)22(23)29)32(30,31)19-11-9-18(10-12-19)26-14-3-4-21(26)28/h5-12H,2-4,13-15H2,1H3,(H2,23,29)(H,24,27)
InChIKeyUWQCIUIURVHBEG-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.95
Rot. Bonds9

About 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide

4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide (PubChem CID 31829154) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide
PubChem CID31829154
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-2-25(15-13-20(27)24-17-7-5-16(6-8-17)22(23)29)32(30,31)19-11-9-18(10-12-19)26-14-3-4-21(26)28/h5-12H,2-4,13-15H2,1H3,(H2,23,29)(H,24,27)
InChIKeyUWQCIUIURVHBEG-UHFFFAOYSA-N
XLogP1.95
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8914392
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30306516
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9180389
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide (CID 31829154) is 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide?
The InChIKey is UWQCIUIURVHBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-2-25(15-13-20(27)24-17-7-5-16(6-8-17)22(23)29)32(30,31)19-11-9-18(10-12-19)26-14-3-4-21(26)28/h5-12H,2-4,13-15H2,1H3,(H2,23,29)(H,24,27).
What are the key properties of 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide?
4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide has a molecular weight of 458.54 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 31829154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).