2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide

C19H19N3O5S2 — CID 2972294

IUPAC2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(N2C(=O)CC(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O5S2/c1-12-2-6-14(7-3-12)22-18(24)10-16(19(22)25)28-11-17(23)21-13-4-8-15(9-5-13)29(20,26)27/h2-9,16H,10-11H2,1H3,(H,21,23)(H2,20,26,27)
InChIKeyVFAKRQBBMZMZJW-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2972294) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID2972294
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(N2C(=O)CC(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O5S2/c1-12-2-6-14(7-3-12)22-18(24)10-16(19(22)25)28-11-17(23)21-13-4-8-15(9-5-13)29(20,26)27/h2-9,16H,10-11H2,1H3,(H,21,23)(H2,20,26,27)
InChIKeyVFAKRQBBMZMZJW-UHFFFAOYSA-N
XLogP1.65
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685
N-(4-methylphenyl)-1,1,4,4-tetraoxo-6-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide
CID 2330223
N-(4-(4-Toluidinosulfonyl)phenyl)acetamide
CID 822744
N-[4-(2-p-Tolyl-thiazolidine-3-sulfonyl)-phenyl]-acetamide
CID 645703
2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 977816
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfonylacetamide
CID 1292276
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 2162831
N-[4-(acetylsulfamoyl)phenyl]-2-ethylsulfanylbenzamide
CID 2211711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 2972294) is 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(N2C(=O)CC(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VFAKRQBBMZMZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-12-2-6-14(7-3-12)22-18(24)10-16(19(22)25)28-11-17(23)21-13-4-8-15(9-5-13)29(20,26)27/h2-9,16H,10-11H2,1H3,(H,21,23)(H2,20,26,27).
What are the key properties of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2972294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).