3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C23H27N5O2S — CID 55930778

IUPAC3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-2-30-19-17-20(18-7-4-3-5-8-18)31-21(19)22(29)24-11-12-27-13-15-28(16-14-27)23-25-9-6-10-26-23/h3-10,17H,2,11-16H2,1H3,(H,24,29)
InChIKeyJXONLTGBYWAOPI-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.16
Rot. Bonds8

About 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 55930778) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID55930778
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-2-30-19-17-20(18-7-4-3-5-8-18)31-21(19)22(29)24-11-12-27-13-15-28(16-14-27)23-25-9-6-10-26-23/h3-10,17H,2,11-16H2,1H3,(H,24,29)
InChIKeyJXONLTGBYWAOPI-UHFFFAOYSA-N
XLogP3.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521653
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55933194
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 55930778) is 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JXONLTGBYWAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-30-19-17-20(18-7-4-3-5-8-18)31-21(19)22(29)24-11-12-27-13-15-28(16-14-27)23-25-9-6-10-26-23/h3-10,17H,2,11-16H2,1H3,(H,24,29).
What are the key properties of 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55930778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).