N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H16BrN3O2S — CID 135444927

IUPACN-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJKCLCFAJBBAMKR-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.13
Rot. Bonds5

About N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135444927) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135444927
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC NameN-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJKCLCFAJBBAMKR-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135444927) is N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JKCLCFAJBBAMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 382.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135444927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).