N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H24N4O4S2 — CID 32838370

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1
InChIInChI=1S/C23H24N4O4S2/c1-5-27(6-2)33(29,30)17-11-9-16(10-12-17)25-22(28)20-14(3)19-15(4)24-21(26-23(19)32-20)18-8-7-13-31-18/h7-13H,5-6H2,1-4H3,(H,25,28)
InChIKeyWIXDXRDEOSVLTF-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.85
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 32838370) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID32838370
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1
InChIInChI=1S/C23H24N4O4S2/c1-5-27(6-2)33(29,30)17-11-9-16(10-12-17)25-22(28)20-14(3)19-15(4)24-21(26-23(19)32-20)18-8-7-13-31-18/h7-13H,5-6H2,1-4H3,(H,25,28)
InChIKeyWIXDXRDEOSVLTF-UHFFFAOYSA-N
XLogP4.85
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24630442
2-(furan-2-yl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386888
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386272
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33265187
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18230491
N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48980775
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 32838370) is N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WIXDXRDEOSVLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-5-27(6-2)33(29,30)17-11-9-16(10-12-17)25-22(28)20-14(3)19-15(4)24-21(26-23(19)32-20)18-8-7-13-31-18/h7-13H,5-6H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 32838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).