N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C23H29N5O3S2 — CID 24980802

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H29N5O3S2/c1-14-6-7-18(12-19(14)33(30,31)27(4)5)26-22(29)17-8-10-28(11-9-17)21-20-15(2)16(3)32-23(20)25-13-24-21/h6-7,12-13,17H,8-11H2,1-5H3,(H,26,29)
InChIKeyYQDUKHKRFCFSOF-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 24980802) has the molecular formula C23H29N5O3S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID24980802
Molecular FormulaC23H29N5O3S2
Molecular Weight487.65 g/mol
Exact Mass487.17
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H29N5O3S2/c1-14-6-7-18(12-19(14)33(30,31)27(4)5)26-22(29)17-8-10-28(11-9-17)21-20-15(2)16(3)32-23(20)25-13-24-21/h6-7,12-13,17H,8-11H2,1-5H3,(H,26,29)
InChIKeyYQDUKHKRFCFSOF-UHFFFAOYSA-N
XLogP3.72
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 24980802) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YQDUKHKRFCFSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S2/c1-14-6-7-18(12-19(14)33(30,31)27(4)5)26-22(29)17-8-10-28(11-9-17)21-20-15(2)16(3)32-23(20)25-13-24-21/h6-7,12-13,17H,8-11H2,1-5H3,(H,26,29).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24980802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).