N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide

C15H16ClN3OS — CID 80947124

IUPACN-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Cl)nc(C(C)C)n2)cc1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)15-18-13(16)8-14(19-15)21-12-6-4-11(5-7-12)17-10(3)20/h4-9H,1-3H3,(H,17,20)
InChIKeyZFRNAQLKJNBLEL-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.36
Rot. Bonds4

About N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide

N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide (PubChem CID 80947124) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
PubChem CID80947124
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Cl)nc(C(C)C)n2)cc1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)15-18-13(16)8-14(19-15)21-12-6-4-11(5-7-12)17-10(3)20/h4-9H,1-3H3,(H,17,20)
InChIKeyZFRNAQLKJNBLEL-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide 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-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 63731436
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
4-chloro-6-(2,5-dimethylphenyl)sulfanyl-2-propan-2-ylpyrimidine
CID 80951032
N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
CID 114863624
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 83123882
3-[4-[(6-chloro-2-pyridinyl)sulfanyl]phenyl]-1,1-dimethylurea
CID 21391423
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide (CID 80947124) is N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2cc(Cl)nc(C(C)C)n2)cc1.
What is the InChIKey of N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The InChIKey is ZFRNAQLKJNBLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9(2)15-18-13(16)8-14(19-15)21-12-6-4-11(5-7-12)17-10(3)20/h4-9H,1-3H3,(H,17,20).
What are the key properties of N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 80947124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).