N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide

C19H21N3O4S2 — CID 9180389

IUPACN-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
SMILESCSc1ccc(NC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-27-16-8-4-14(5-9-16)21-18(23)13-20-28(25,26)17-10-6-15(7-11-17)22-12-2-3-19(22)24/h4-11,20H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyCMEJPFYRMWJYGF-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.45
Rot. Bonds7

About N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide

N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide (PubChem CID 9180389) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
PubChem CID9180389
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
SMILESCSc1ccc(NC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-27-16-8-4-14(5-9-16)21-18(23)13-20-28(25,26)17-10-6-15(7-11-17)22-12-2-3-19(22)24/h4-11,20H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyCMEJPFYRMWJYGF-UHFFFAOYSA-N
XLogP2.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-difluorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747889
N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9084473
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 124788623
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide (CID 9180389) is N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide is CSc1ccc(NC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
The InChIKey is CMEJPFYRMWJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-27-16-8-4-14(5-9-16)21-18(23)13-20-28(25,26)17-10-6-15(7-11-17)22-12-2-3-19(22)24/h4-11,20H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide?
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9180389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).