N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide

C25H34N6O3S — CID 141451381

IUPACN-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1
InChIKeyUZVJWQPORUUHRW-OAQYLSRUSA-N
MW498.65 g/mol
LogP3.95
Rot. Bonds7

About N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide

N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide (PubChem CID 141451381) has the molecular formula C25H34N6O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
PubChem CID141451381
Molecular FormulaC25H34N6O3S
Molecular Weight498.65 g/mol
Exact Mass498.24
IUPAC NameN-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1
InChIKeyUZVJWQPORUUHRW-OAQYLSRUSA-N
XLogP3.95
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

Ihmt-mst1-58
CID 162477909
4-[[7'-[(1R,2R)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-[(3R)-1-methylpiperidin-3-yl]benzenesulfonamide
CID 168287551
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20970546
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide
CID 141451364
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-methylbenzenesulfonamide
CID 141451372
N-butyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 141451382
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-phenylbenzenesulfonamide
CID 141451386
US11066404, Example 1
CID 146473748
4-[[7-(2-fluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 147290237
4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 153027641
Ihmt-mst1-39
CID 153529289
4-[(5,7,8-trimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 153529299

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide (CID 141451381) is N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide is CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)nc2N1C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The InChIKey is UZVJWQPORUUHRW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1.
What are the key properties of N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide has a molecular weight of 498.65 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 141451381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).