N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide

C25H24N4O3S2 — CID 58365779

IUPACN-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H24N4O3S2/c1-15(2)22-21-23(27-26-22)25(30)29(18-10-8-16(9-11-18)17-12-13-33-14-17)24(21)19-6-4-5-7-20(19)28-34(3,31)32/h4-15,24,28H,1-3H3,(H,26,27)
InChIKeyYJRUZNCQTSGJNQ-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.38
Rot. Bonds6

About N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide

N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide (PubChem CID 58365779) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide
PubChem CID58365779
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC NameN-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H24N4O3S2/c1-15(2)22-21-23(27-26-22)25(30)29(18-10-8-16(9-11-18)17-12-13-33-14-17)24(21)19-6-4-5-7-20(19)28-34(3,31)32/h4-15,24,28H,1-3H3,(H,26,27)
InChIKeyYJRUZNCQTSGJNQ-UHFFFAOYSA-N
XLogP5.38
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide (CID 58365779) is N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide is CC(C)c1[nH]nc2c1C(c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is YJRUZNCQTSGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c1-15(2)22-21-23(27-26-22)25(30)29(18-10-8-16(9-11-18)17-12-13-33-14-17)24(21)19-6-4-5-7-20(19)28-34(3,31)32/h4-15,24,28H,1-3H3,(H,26,27).
What are the key properties of N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide?
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 492.63 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 58365779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).