N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide

C14H14ClN3OS — CID 46304740

IUPACN-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SCCC(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C14H14ClN3OS/c1-10-7-14(17-9-16-10)20-6-5-13(19)18-12-4-2-3-11(15)8-12/h2-4,7-9H,5-6H2,1H3,(H,18,19)
InChIKeyOJTRAYKYPOVEMY-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.56
Rot. Bonds5

About N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide

N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 46304740) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID46304740
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC NameN-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SCCC(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C14H14ClN3OS/c1-10-7-14(17-9-16-10)20-6-5-13(19)18-12-4-2-3-11(15)8-12/h2-4,7-9H,5-6H2,1H3,(H,18,19)
InChIKeyOJTRAYKYPOVEMY-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305207
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304963
3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 79525427
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 71991611
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958
N-(3-chlorophenyl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanamide
CID 50841664
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
CID 23775152
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43303444
N-(3-chlorophenyl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46303914

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide (CID 46304740) is N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(SCCC(=O)Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is OJTRAYKYPOVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-10-7-14(17-9-16-10)20-6-5-13(19)18-12-4-2-3-11(15)8-12/h2-4,7-9H,5-6H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 307.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 46304740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).