2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide

C22H26N6O3S2 — CID 71304813

IUPAC2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide
SMILESCCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1
InChIInChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
InChIKeyIXDTWYVAYLILOL-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.64
Rot. Bonds8

About 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide

2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide (PubChem CID 71304813) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide
PubChem CID71304813
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide
SMILESCCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1
InChIInChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
InChIKeyIXDTWYVAYLILOL-UHFFFAOYSA-N
XLogP2.64
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide (CID 71304813) is 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide is CCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1.
What is the InChIKey of 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide?
The InChIKey is IXDTWYVAYLILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31).
What are the key properties of 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide?
2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide has a molecular weight of 486.62 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 71304813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).