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

C16H19N3O2S — CID 156880536

IUPACN-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)11-4-6-12(7-5-11)18-13(20)10-22-14-8-9-17-15(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyCCSHWNMBFVCGBL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.80
Rot. Bonds4

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

N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 156880536) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID156880536
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)11-4-6-12(7-5-11)18-13(20)10-22-14-8-9-17-15(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyCCSHWNMBFVCGBL-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 156880536) is N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is CC(C)(C)c1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is CCSHWNMBFVCGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)11-4-6-12(7-5-11)18-13(20)10-22-14-8-9-17-15(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 156880536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).