N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C17H19N3O3S — CID 171647126

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(C2(NC(=O)CSc3[nH]c(=O)ncc3C)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11-9-18-16(22)19-15(11)24-10-14(21)20-17(7-8-17)12-3-5-13(23-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyXPWJGESGXPUKLE-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.98
Rot. Bonds6

About N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 171647126) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID171647126
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(C2(NC(=O)CSc3[nH]c(=O)ncc3C)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11-9-18-16(22)19-15(11)24-10-14(21)20-17(7-8-17)12-3-5-13(23-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyXPWJGESGXPUKLE-UHFFFAOYSA-N
XLogP1.98
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813592
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813597
N-(2,4-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595610
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595674
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-(4-methoxyphenyl)cyclopentyl]acetamide
CID 71935168
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 171647126) is N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is COc1ccc(C2(NC(=O)CSc3[nH]c(=O)ncc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is XPWJGESGXPUKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-18-16(22)19-15(11)24-10-14(21)20-17(7-8-17)12-3-5-13(23-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 171647126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).