3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide

C24H28N6O3S — CID 71655060

IUPAC3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1
InChIInChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33)
InChIKeyJSCRCECGNHPGDY-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.58
Rot. Bonds8

About 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide

3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide (PubChem CID 71655060) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
PubChem CID71655060
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1
InChIInChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33)
InChIKeyJSCRCECGNHPGDY-UHFFFAOYSA-N
XLogP2.58
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide (CID 71655060) is 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide is CCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1.
What is the InChIKey of 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The InChIKey is JSCRCECGNHPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33).
What are the key properties of 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide?
3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide has a molecular weight of 480.59 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 71655060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).