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

C16H19N3O2S — CID 7575397

IUPACN-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-3-4-12-5-7-13(8-6-12)18-15(21)11-22-16-17-10-9-14(20)19-16/h5-10H,2-4,11H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyFANNMTFVORUCAN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.84
Rot. Bonds7

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

N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 7575397) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID7575397
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-3-4-12-5-7-13(8-6-12)18-15(21)11-22-16-17-10-9-14(20)19-16/h5-10H,2-4,11H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyFANNMTFVORUCAN-UHFFFAOYSA-N
XLogP2.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2960166
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
CID 9144228
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 27622118
2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 43218640
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075
N-(4-cyclohexylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860091
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 23876099
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 9143912
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-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 7575397) is N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCCc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is FANNMTFVORUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-3-4-12-5-7-13(8-6-12)18-15(21)11-22-16-17-10-9-14(20)19-16/h5-10H,2-4,11H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).