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

C16H17N3O3S — CID 135413606

IUPACN-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17N3O3S/c1-2-6-12-9-13(20)19-16(17-12)23-10-14(21)18-15(22)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,19,20)(H,18,21,22)
InChIKeyLVBNMOLNZKNAGW-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.77
Rot. Bonds6

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

N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide (PubChem CID 135413606) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
PubChem CID135413606
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17N3O3S/c1-2-6-12-9-13(20)19-16(17-12)23-10-14(21)18-15(22)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,19,20)(H,18,21,22)
InChIKeyLVBNMOLNZKNAGW-UHFFFAOYSA-N
XLogP1.77
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135794468
N-methyl-3-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135717639
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
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 135534264
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 135445460
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 135488243
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 135794457

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide (CID 135413606) is N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide is CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide?
The InChIKey is LVBNMOLNZKNAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-6-12-9-13(20)19-16(17-12)23-10-14(21)18-15(22)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,17,19,20)(H,18,21,22).
What are the key properties of N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide?
N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide has a molecular weight of 331.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 135413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).