N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

C16H19N3O2S — CID 135445460

IUPACN-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-3-7-12-10-14(20)18-16(17-12)22-11-15(21)19(2)13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,17,18,20)
InChIKeyRADUSYYNNAECKV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.48
Rot. Bonds6

About N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135445460) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID135445460
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-3-7-12-10-14(20)18-16(17-12)22-11-15(21)19(2)13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,17,18,20)
InChIKeyRADUSYYNNAECKV-UHFFFAOYSA-N
XLogP2.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967
N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135413606
2-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135910525
N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 135415466
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 135767375
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
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 135680378
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617298
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135794521
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
CID 135849289
2-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135949746
2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 136687474

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 135445460) is N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is RADUSYYNNAECKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-7-12-10-14(20)18-16(17-12)22-11-15(21)19(2)13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,17,18,20).
What are the key properties of N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135445460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).