N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H20N4O3S2 — CID 56500888

IUPACN-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)sc2n1
InChIInChI=1S/C18H20N4O3S2/c1-10-15-11(2)19-12(3)20-18(15)26-16(10)17(23)21-13-8-6-7-9-14(13)27(24,25)22(4)5/h6-9H,1-5H3,(H,21,23)
InChIKeyDHAMCGFWCIAZSP-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56500888) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56500888
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)sc2n1
InChIInChI=1S/C18H20N4O3S2/c1-10-15-11(2)19-12(3)20-18(15)26-16(10)17(23)21-13-8-6-7-9-14(13)27(24,25)22(4)5/h6-9H,1-5H3,(H,21,23)
InChIKeyDHAMCGFWCIAZSP-UHFFFAOYSA-N
XLogP3.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56500888) is N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3ccccc3S(=O)(=O)N(C)C)sc2n1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DHAMCGFWCIAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-10-15-11(2)19-12(3)20-18(15)26-16(10)17(23)21-13-8-6-7-9-14(13)27(24,25)22(4)5/h6-9H,1-5H3,(H,21,23).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).