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

C22H31N3O4S — CID 124788623

IUPACN-[(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
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C22H31N3O4S/c26-21(24-18-8-7-16-4-1-2-5-17(16)14-18)15-23-30(28,29)20-11-9-19(10-12-20)25-13-3-6-22(25)27/h9-12,16-18,23H,1-8,13-15H2,(H,24,26)/t16-,17-,18+/m0/s1
InChIKeyBDSKBRPHWHGMNR-OKZBNKHCSA-N
MW433.57 g/mol
LogP2.57
Rot. Bonds6

About 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

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 (PubChem CID 124788623) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID124788623
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[(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
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C22H31N3O4S/c26-21(24-18-8-7-16-4-1-2-5-17(16)14-18)15-23-30(28,29)20-11-9-19(10-12-20)25-13-3-6-22(25)27/h9-12,16-18,23H,1-8,13-15H2,(H,24,26)/t16-,17-,18+/m0/s1
InChIKeyBDSKBRPHWHGMNR-OKZBNKHCSA-N
XLogP2.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-[2-[[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9451102
N-[(1R,2S)-2-methylcyclohexyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9084473
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
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
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137665
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 26004757

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1.
What is the InChIKey of 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?
The InChIKey is BDSKBRPHWHGMNR-OKZBNKHCSA-N. The full InChI is InChI=1S/C22H31N3O4S/c26-21(24-18-8-7-16-4-1-2-5-17(16)14-18)15-23-30(28,29)20-11-9-19(10-12-20)25-13-3-6-22(25)27/h9-12,16-18,23H,1-8,13-15H2,(H,24,26)/t16-,17-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 433.57 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).