2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H25N3O4S — CID 40794777

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O4S/c26-21(24-20-8-3-6-16-5-1-2-7-19(16)20)15-23-30(28,29)18-12-10-17(11-13-18)25-14-4-9-22(25)27/h1-2,5,7,10-13,20,23H,3-4,6,8-9,14-15H2,(H,24,26)/t20-/m0/s1
InChIKeyJCSASBLKRSQVDI-FQEVSTJZSA-N
MW427.53 g/mol
LogP2.29
Rot. Bonds6

About 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 40794777) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID40794777
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O4S/c26-21(24-20-8-3-6-16-5-1-2-7-19(16)20)15-23-30(28,29)18-12-10-17(11-13-18)25-14-4-9-22(25)27/h1-2,5,7,10-13,20,23H,3-4,6,8-9,14-15H2,(H,24,26)/t20-/m0/s1
InChIKeyJCSASBLKRSQVDI-FQEVSTJZSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
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-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25492643
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727233
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9180389
4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide
CID 46584717

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 40794777) is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is JCSASBLKRSQVDI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21(24-20-8-3-6-16-5-1-2-7-19(16)20)15-23-30(28,29)18-12-10-17(11-13-18)25-14-4-9-22(25)27/h1-2,5,7,10-13,20,23H,3-4,6,8-9,14-15H2,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 40794777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).