N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C28H30N6O5S — CID 90519639

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)CC3)ncn2)cc1
InChIInChI=1S/C28H30N6O5S/c1-18-19(2)32-39-28(18)33-40(36,37)24-10-6-22(7-11-24)31-27(35)21-12-14-34(15-13-21)26-16-25(29-17-30-26)20-4-8-23(38-3)9-5-20/h4-11,16-17,21,33H,12-15H2,1-3H3,(H,31,35)
InChIKeyNUTDCPDBSSISJJ-UHFFFAOYSA-N
MW562.65 g/mol
LogP4.41
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90519639) has the molecular formula C28H30N6O5S and a molecular weight of 562.65 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90519639
Molecular FormulaC28H30N6O5S
Molecular Weight562.65 g/mol
Exact Mass562.20
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)CC3)ncn2)cc1
InChIInChI=1S/C28H30N6O5S/c1-18-19(2)32-39-28(18)33-40(36,37)24-10-6-22(7-11-24)31-27(35)21-12-14-34(15-13-21)26-16-25(29-17-30-26)20-4-8-23(38-3)9-5-20/h4-11,16-17,21,33H,12-15H2,1-3H3,(H,31,35)
InChIKeyNUTDCPDBSSISJJ-UHFFFAOYSA-N
XLogP4.41
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 90519749
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128752
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785629
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519659
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90519639) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)CC3)ncn2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NUTDCPDBSSISJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5S/c1-18-19(2)32-39-28(18)33-40(36,37)24-10-6-22(7-11-24)31-27(35)21-12-14-34(15-13-21)26-16-25(29-17-30-26)20-4-8-23(38-3)9-5-20/h4-11,16-17,21,33H,12-15H2,1-3H3,(H,31,35).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 562.65 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).