N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C19H17N3O2S — CID 2212940

IUPACN-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-16-11-12-20-19(22-16)25-13-17(24)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,21,24)(H,20,22,23)
InChIKeyDRFZJXJWZPDINE-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.77
Rot. Bonds6

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

N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2212940) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2212940
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-16-11-12-20-19(22-16)25-13-17(24)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,21,24)(H,20,22,23)
InChIKeyDRFZJXJWZPDINE-UHFFFAOYSA-N
XLogP2.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144280
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144287
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
CID 9144228
3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 63099284
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1286703
N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9143525
N-(2-cyanophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2978535
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144056
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 860054

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2212940) is N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is DRFZJXJWZPDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-16-11-12-20-19(22-16)25-13-17(24)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,21,24)(H,20,22,23).
What are the key properties of N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).