2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C18H23N3O2S — CID 136685131

IUPAC2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCCCCc1cc(=O)[nH]c(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-4-10-15-11-16(22)21-18(20-15)24-12-17(23)19-13(2)14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIVEFRKGRFVDPOM-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.08
Rot. Bonds8

About 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 136685131) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID136685131
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCCCCc1cc(=O)[nH]c(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-4-10-15-11-16(22)21-18(20-15)24-12-17(23)19-13(2)14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIVEFRKGRFVDPOM-UHFFFAOYSA-N
XLogP3.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 135767375
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135574661
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 135680378
2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 5305859
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135720158
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
N-(1,3-benzothiazol-2-yl)-2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136685221
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135830299
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[6-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-pyridinyl]acetamide
CID 135795858
N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135413606
ethyl 2-[[2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 136685129

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 136685131) is 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is CCCCc1cc(=O)[nH]c(SCC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is IVEFRKGRFVDPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-4-10-15-11-16(22)21-18(20-15)24-12-17(23)19-13(2)14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 136685131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).