N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C24H24N4OS2 — CID 133278572

IUPACN-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H24N4OS2/c1-2-25-23(29)17-8-11-28(12-9-17)22-20-19(16-6-4-3-5-7-16)15-31-24(20)27-21(26-22)18-10-13-30-14-18/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3,(H,25,29)
InChIKeyBRPRVKZJDPGFNF-UHFFFAOYSA-N
MW448.62 g/mol
LogP5.44
Rot. Bonds5

About N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 133278572) has the molecular formula C24H24N4OS2 and a molecular weight of 448.62 g/mol. Its IUPAC name is N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID133278572
Molecular FormulaC24H24N4OS2
Molecular Weight448.62 g/mol
Exact Mass448.14
IUPAC NameN-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H24N4OS2/c1-2-25-23(29)17-8-11-28(12-9-17)22-20-19(16-6-4-3-5-7-16)15-31-24(20)27-21(26-22)18-10-13-30-14-18/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3,(H,25,29)
InChIKeyBRPRVKZJDPGFNF-UHFFFAOYSA-N
XLogP5.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.62
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 133278712
N-ethyl-4-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 133367069
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279227
N-[(1S,3S)-3-(ethylcarbamoyl)cyclohexyl]-1-(5-phenylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxamide
CID 71766256
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279228
N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 133381214
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
N-[(1-benzylpyrrolidin-2-yl)methyl]-5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 133278572) is N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCNC(=O)C1CCN(c2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is BRPRVKZJDPGFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS2/c1-2-25-23(29)17-8-11-28(12-9-17)22-20-19(16-6-4-3-5-7-16)15-31-24(20)27-21(26-22)18-10-13-30-14-18/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3,(H,25,29).
What are the key properties of N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 448.62 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133278572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).