4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C23H28N4O2S — CID 171784125

IUPAC4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C23H28N4O2S/c1-15(2)27-11-8-19(9-12-27)26-21(28)18-6-4-17(5-7-18)14-29-22-20-10-13-30-23(20)25-16(3)24-22/h4-7,10,13,15,19H,8-9,11-12,14H2,1-3H3,(H,26,28)
InChIKeyNDVVPDGAPSUFHK-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.18
Rot. Bonds6

About 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide

4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 171784125) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID171784125
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C23H28N4O2S/c1-15(2)27-11-8-19(9-12-27)26-21(28)18-6-4-17(5-7-18)14-29-22-20-10-13-30-23(20)25-16(3)24-22/h4-7,10,13,15,19H,8-9,11-12,14H2,1-3H3,(H,26,28)
InChIKeyNDVVPDGAPSUFHK-UHFFFAOYSA-N
XLogP4.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 171784125) is 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide is Cc1nc(OCc2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)c2ccsc2n1.
What is the InChIKey of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is NDVVPDGAPSUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15(2)27-11-8-19(9-12-27)26-21(28)18-6-4-17(5-7-18)14-29-22-20-10-13-30-23(20)25-16(3)24-22/h4-7,10,13,15,19H,8-9,11-12,14H2,1-3H3,(H,26,28).
What are the key properties of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 424.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 171784125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).