N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide

C23H21N5O5S2 — CID 2218994

IUPACN-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SMILESCc1oc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(NC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C23H21N5O5S2/c1-13-14(2)33-22-19(13)20(26-21(30)15-6-4-3-5-7-15)27-23(28-22)34-12-18(29)25-16-8-10-17(11-9-16)35(24,31)32/h3-11H,12H2,1-2H3,(H,25,29)(H2,24,31,32)(H,26,27,28,30)
InChIKeyGSYVSBZBHYYGIY-UHFFFAOYSA-N
MW511.59 g/mol
LogP3.47
Rot. Bonds7

About N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide

N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide (PubChem CID 2218994) has the molecular formula C23H21N5O5S2 and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
PubChem CID2218994
Molecular FormulaC23H21N5O5S2
Molecular Weight511.59 g/mol
Exact Mass511.10
IUPAC NameN-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SMILESCc1oc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(NC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C23H21N5O5S2/c1-13-14(2)33-22-19(13)20(26-21(30)15-6-4-3-5-7-15)27-23(28-22)34-12-18(29)25-16-8-10-17(11-9-16)35(24,31)32/h3-11H,12H2,1-2H3,(H,25,29)(H2,24,31,32)(H,26,27,28,30)
InChIKeyGSYVSBZBHYYGIY-UHFFFAOYSA-N
XLogP3.47
TPSA157.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide (CID 2218994) is N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide is Cc1oc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(NC(=O)c3ccccc3)c2c1C.
What is the InChIKey of N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide?
The InChIKey is GSYVSBZBHYYGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S2/c1-13-14(2)33-22-19(13)20(26-21(30)15-6-4-3-5-7-15)27-23(28-22)34-12-18(29)25-16-8-10-17(11-9-16)35(24,31)32/h3-11H,12H2,1-2H3,(H,25,29)(H2,24,31,32)(H,26,27,28,30).
What are the key properties of N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide?
N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide has a molecular weight of 511.59 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 2218994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).