N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide

C26H26N4O3S — CID 39511388

IUPACN-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)CC1
InChIInChI=1S/C26H26N4O3S/c1-15-7-4-5-8-19(15)24(31)28-18-10-12-30(13-11-18)26(32)22-16(2)21-17(3)27-23(29-25(21)34-22)20-9-6-14-33-20/h4-9,14,18H,10-13H2,1-3H3,(H,28,31)
InChIKeyGXNSYELPPHMBNB-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.91
Rot. Bonds4

About N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39511388) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39511388
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)CC1
InChIInChI=1S/C26H26N4O3S/c1-15-7-4-5-8-19(15)24(31)28-18-10-12-30(13-11-18)26(32)22-16(2)21-17(3)27-23(29-25(21)34-22)20-9-6-14-33-20/h4-9,14,18H,10-13H2,1-3H3,(H,28,31)
InChIKeyGXNSYELPPHMBNB-UHFFFAOYSA-N
XLogP4.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
(2,6-dimethylmorpholin-4-yl)-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 18153458
2-(furan-2-yl)-4,5-dimethyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46482024
4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
CID 35795709
2-methyl-N-[1-(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carbonyl)piperidin-4-yl]benzamide
CID 39510846
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
CID 24629657
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18162188
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide (CID 39511388) is N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)CC1.
What is the InChIKey of N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is GXNSYELPPHMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-15-7-4-5-8-19(15)24(31)28-18-10-12-30(13-11-18)26(32)22-16(2)21-17(3)27-23(29-25(21)34-22)20-9-6-14-33-20/h4-9,14,18H,10-13H2,1-3H3,(H,28,31).
What are the key properties of N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39511388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).