N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

C18H19N3O2S — CID 131894725

IUPACN-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C18H19N3O2S/c1-11-15(12(2)21-18(23)20-11)4-6-17(22)19-10-13-3-5-16-14(9-13)7-8-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyFIIHCZNCQFGUTK-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds5

About N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 131894725) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID131894725
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C18H19N3O2S/c1-11-15(12(2)21-18(23)20-11)4-6-17(22)19-10-13-3-5-16-14(9-13)7-8-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyFIIHCZNCQFGUTK-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
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N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
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3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
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3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 90647550
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3-[1-benzothiophen-5-ylmethylcarbamoyl(methyl)amino]propanoic acid
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3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
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CID 122014668
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (CID 131894725) is N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is FIIHCZNCQFGUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-15(12(2)21-18(23)20-11)4-6-17(22)19-10-13-3-5-16-14(9-13)7-8-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 131894725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).