N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide

C28H26N4O5S — CID 58603276

IUPACN-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(-c2oc3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H26N4O5S/c33-38(34,32-17-22-9-5-15-36-22)23-12-10-20(11-13-23)26-24(19-6-2-1-3-7-19)25-27(30-18-31-28(25)37-26)29-16-21-8-4-14-35-21/h1-3,5-7,9-13,15,18,21,32H,4,8,14,16-17H2,(H,29,30,31)
InChIKeyOVEIKXBTKAMCTE-UHFFFAOYSA-N
MW530.61 g/mol
LogP5.22
Rot. Bonds9

About N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide (PubChem CID 58603276) has the molecular formula C28H26N4O5S and a molecular weight of 530.61 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide
PubChem CID58603276
Molecular FormulaC28H26N4O5S
Molecular Weight530.61 g/mol
Exact Mass530.16
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(-c2oc3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H26N4O5S/c33-38(34,32-17-22-9-5-15-36-22)23-12-10-20(11-13-23)26-24(19-6-2-1-3-7-19)25-27(30-18-31-28(25)37-26)29-16-21-8-4-14-35-21/h1-3,5-7,9-13,15,18,21,32H,4,8,14,16-17H2,(H,29,30,31)
InChIKeyOVEIKXBTKAMCTE-UHFFFAOYSA-N
XLogP5.22
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547
(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 58603256
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
N-(1,3-oxathiolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11646785
4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 168527242
2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397
but-3-enal;6-[(E)-but-2-en-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylfuro[2,3-d]pyrimidin-4-amine;N-methylmethanamine
CID 143163779
1-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9114927
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide (CID 58603276) is N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccc(-c2oc3ncnc(NCC4CCCO4)c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide?
The InChIKey is OVEIKXBTKAMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5S/c33-38(34,32-17-22-9-5-15-36-22)23-12-10-20(11-13-23)26-24(19-6-2-1-3-7-19)25-27(30-18-31-28(25)37-26)29-16-21-8-4-14-35-21/h1-3,5-7,9-13,15,18,21,32H,4,8,14,16-17H2,(H,29,30,31).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide has a molecular weight of 530.61 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide is sourced from PubChem (CID 58603276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).