4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide

C18H18N6O3S2 — CID 162477931

IUPAC4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCN1C(=O)C(c2cccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
InChIInChI=1S/C18H18N6O3S2/c1-23-13-10-20-18(21-11-5-7-12(8-6-11)29(19,26)27)22-16(13)24(2)15(17(23)25)14-4-3-9-28-14/h3-10,15H,1-2H3,(H2,19,26,27)(H,20,21,22)
InChIKeyUCPFOTUAFAHQFE-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.08
Rot. Bonds4

About 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide

4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide (PubChem CID 162477931) has the molecular formula C18H18N6O3S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
PubChem CID162477931
Molecular FormulaC18H18N6O3S2
Molecular Weight430.52 g/mol
Exact Mass430.09
IUPAC Name4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCN1C(=O)C(c2cccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
InChIInChI=1S/C18H18N6O3S2/c1-23-13-10-20-18(21-11-5-7-12(8-6-11)29(19,26)27)22-16(13)24(2)15(17(23)25)14-4-3-9-28-14/h3-10,15H,1-2H3,(H2,19,26,27)(H,20,21,22)
InChIKeyUCPFOTUAFAHQFE-UHFFFAOYSA-N
XLogP2.08
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

Xmu-MP-1
CID 121499143
Ihmt-mst1-58
CID 162477909
(E)-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide
CID 2147336
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-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 141451381
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
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 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide (CID 162477931) is 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide is CN1C(=O)C(c2cccs2)N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21.
What is the InChIKey of 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The InChIKey is UCPFOTUAFAHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S2/c1-23-13-10-20-18(21-11-5-7-12(8-6-11)29(19,26)27)22-16(13)24(2)15(17(23)25)14-4-3-9-28-14/h3-10,15H,1-2H3,(H2,19,26,27)(H,20,21,22).
What are the key properties of 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide?
4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide has a molecular weight of 430.52 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 162477931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).