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

C24H24N4O3S2 — CID 46551243

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)sc2n1
InChIInChI=1S/C24H24N4O3S2/c1-13-6-7-19(12-14(13)2)28-33(30,31)20-10-8-18(9-11-20)27-23(29)22-15(3)21-16(4)25-17(5)26-24(21)32-22/h6-12,28H,1-5H3,(H,27,29)
InChIKeyGUCZBJXMQWOTOP-UHFFFAOYSA-N
MW480.62 g/mol
LogP5.29
Rot. Bonds5

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

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46551243) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46551243
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)sc2n1
InChIInChI=1S/C24H24N4O3S2/c1-13-6-7-19(12-14(13)2)28-33(30,31)20-10-8-18(9-11-20)27-23(29)22-15(3)21-16(4)25-17(5)26-24(21)32-22/h6-12,28H,1-5H3,(H,27,29)
InChIKeyGUCZBJXMQWOTOP-UHFFFAOYSA-N
XLogP5.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 55555037
2,4,5-trimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56501551
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363857
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
CID 42998725
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33475880
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46551243) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)sc2n1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GUCZBJXMQWOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-13-6-7-19(12-14(13)2)28-33(30,31)20-10-8-18(9-11-20)27-23(29)22-15(3)21-16(4)25-17(5)26-24(21)32-22/h6-12,28H,1-5H3,(H,27,29).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46551243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).