N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide

C20H15N3O2S — CID 9112729

IUPACN-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
SMILESO=C(NCc1ccccc1)c1cccc(Oc2ncnc3sccc23)c1
InChIInChI=1S/C20H15N3O2S/c24-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)25-19-17-9-10-26-20(17)23-13-22-19/h1-11,13H,12H2,(H,21,24)
InChIKeyFKJODNPQIOCBDO-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.41
Rot. Bonds5

About N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide

N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide (PubChem CID 9112729) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
PubChem CID9112729
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
SMILESO=C(NCc1ccccc1)c1cccc(Oc2ncnc3sccc23)c1
InChIInChI=1S/C20H15N3O2S/c24-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)25-19-17-9-10-26-20(17)23-13-22-19/h1-11,13H,12H2,(H,21,24)
InChIKeyFKJODNPQIOCBDO-UHFFFAOYSA-N
XLogP4.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide
CID 133382101
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 56820177
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The IUPAC name of N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide (CID 9112729) is N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide.
What is the SMILES notation for N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The canonical SMILES for N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide is O=C(NCc1ccccc1)c1cccc(Oc2ncnc3sccc23)c1.
What is the InChIKey of N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The InChIKey is FKJODNPQIOCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)25-19-17-9-10-26-20(17)23-13-22-19/h1-11,13H,12H2,(H,21,24).
What are the key properties of N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide has a molecular weight of 361.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide is sourced from PubChem (CID 9112729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).