N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C22H26N4O5S — CID 55407762

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C22H26N4O5S/c1-13-9-14(2)11-26(10-13)32(29,30)17-7-5-16(6-8-17)24-20(27)18-15(3)31-21-19(18)22(28)25(4)12-23-21/h5-8,12-14H,9-11H2,1-4H3,(H,24,27)
InChIKeyCZDFFHAMHAMIDK-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55407762) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID55407762
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C22H26N4O5S/c1-13-9-14(2)11-26(10-13)32(29,30)17-7-5-16(6-8-17)24-20(27)18-15(3)31-21-19(18)22(28)25(4)12-23-21/h5-8,12-14H,9-11H2,1-4H3,(H,24,27)
InChIKeyCZDFFHAMHAMIDK-UHFFFAOYSA-N
XLogP2.75
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 9394724
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 7921841

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 55407762) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CZDFFHAMHAMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-13-9-14(2)11-26(10-13)32(29,30)17-7-5-16(6-8-17)24-20(27)18-15(3)31-21-19(18)22(28)25(4)12-23-21/h5-8,12-14H,9-11H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55407762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).