N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C22H26N4O3S2 — CID 33206224

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(C)c12
InChIInChI=1S/C22H26N4O3S2/c1-12-17-13(2)23-19(14-9-10-14)25-21(17)30-18(12)20(27)24-15-7-6-8-16(11-15)31(28,29)26-22(3,4)5/h6-8,11,14,26H,9-10H2,1-5H3,(H,24,27)
InChIKeyIMPJFZMKZLTYHY-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.51
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33206224) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID33206224
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(C)c12
InChIInChI=1S/C22H26N4O3S2/c1-12-17-13(2)23-19(14-9-10-14)25-21(17)30-18(12)20(27)24-15-7-6-8-16(11-15)31(28,29)26-22(3,4)5/h6-8,11,14,26H,9-10H2,1-5H3,(H,24,27)
InChIKeyIMPJFZMKZLTYHY-UHFFFAOYSA-N
XLogP4.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55825169
2-cyclopropyl-4,5-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 43052063
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915
2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475614
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431
2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43051867

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 33206224) is N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c(C)c12.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IMPJFZMKZLTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-12-17-13(2)23-19(14-9-10-14)25-21(17)30-18(12)20(27)24-15-7-6-8-16(11-15)31(28,29)26-22(3,4)5/h6-8,11,14,26H,9-10H2,1-5H3,(H,24,27).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).