2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide

C21H21N5O4S — CID 52945663

IUPAC2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@@H]3CN(S(=O)(=O)c4ccc5ccccc5c4)C[C@@H]3C2)nc1
InChIInChI=1S/C21H21N5O4S/c27-20(24-28)16-8-22-21(23-9-16)25-10-17-12-26(13-18(17)11-25)31(29,30)19-6-5-14-3-1-2-4-15(14)7-19/h1-9,17-18,28H,10-13H2,(H,24,27)/t17-,18+
InChIKeyPRIUJKXYEBCDBF-HDICACEKSA-N
MW439.50 g/mol
LogP1.51
Rot. Bonds4

About 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide

2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 52945663) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID52945663
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@@H]3CN(S(=O)(=O)c4ccc5ccccc5c4)C[C@@H]3C2)nc1
InChIInChI=1S/C21H21N5O4S/c27-20(24-28)16-8-22-21(23-9-16)25-10-17-12-26(13-18(17)11-25)31(29,30)19-6-5-14-3-1-2-4-15(14)7-19/h1-9,17-18,28H,10-13H2,(H,24,27)/t17-,18+
InChIKeyPRIUJKXYEBCDBF-HDICACEKSA-N
XLogP1.51
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

R-306465
CID 10309899
N-hydroxy-2-[(1S,5R)-6-[methyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855395
N-hydroxy-2-[(1R,5S)-6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855593
N-hydroxy-2-((3aR,6aS)-5-(naphthalen-2-ylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyrimidine-5-carboxamide
CID 50898619
2-[(3aS,6aR)-5-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52945665
N-hydroxy-2-[6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 11957778
N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58844969
2-[4-[4-(4-fluorophenyl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58845091
2-[5-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 59367610
2-[6-(Naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 66876946
2-[5-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyrimidine-5-carboxamide
CID 87187462
N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide
CID 155469272

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide (CID 52945663) is 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2C[C@@H]3CN(S(=O)(=O)c4ccc5ccccc5c4)C[C@@H]3C2)nc1.
What is the InChIKey of 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is PRIUJKXYEBCDBF-HDICACEKSA-N. The full InChI is InChI=1S/C21H21N5O4S/c27-20(24-28)16-8-22-21(23-9-16)25-10-17-12-26(13-18(17)11-25)31(29,30)19-6-5-14-3-1-2-4-15(14)7-19/h1-9,17-18,28H,10-13H2,(H,24,27)/t17-,18+.
What are the key properties of 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-5-naphthalen-2-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 52945663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).