N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide

C20H28N6O5S2 — CID 43908040

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1
InChIInChI=1S/C20H28N6O5S2/c1-14-13-15(2)22-20(21-14)24-32(28,29)18-7-5-17(6-8-18)23-19(27)16-9-11-26(12-10-16)33(30,31)25(3)4/h5-8,13,16H,9-12H2,1-4H3,(H,23,27)(H,21,22,24)
InChIKeyKQCBICRTEIXRRF-UHFFFAOYSA-N
MW496.62 g/mol
LogP1.35
Rot. Bonds7

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 43908040) has the molecular formula C20H28N6O5S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
PubChem CID43908040
Molecular FormulaC20H28N6O5S2
Molecular Weight496.62 g/mol
Exact Mass496.16
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1
InChIInChI=1S/C20H28N6O5S2/c1-14-13-15(2)22-20(21-14)24-32(28,29)18-7-5-17(6-8-18)23-19(27)16-9-11-26(12-10-16)33(30,31)25(3)4/h5-8,13,16H,9-12H2,1-4H3,(H,23,27)(H,21,22,24)
InChIKeyKQCBICRTEIXRRF-UHFFFAOYSA-N
XLogP1.35
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide (CID 43908040) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is KQCBICRTEIXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O5S2/c1-14-13-15(2)22-20(21-14)24-32(28,29)18-7-5-17(6-8-18)23-19(27)16-9-11-26(12-10-16)33(30,31)25(3)4/h5-8,13,16H,9-12H2,1-4H3,(H,23,27)(H,21,22,24).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 43908040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).