4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

C23H25N3OS — CID 4548878

IUPAC4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C23H25N3OS/c1-4-5-6-18-7-9-19(10-8-18)22(27)26-20-11-13-21(14-12-20)28-23-24-16(2)15-17(3)25-23/h7-15H,4-6H2,1-3H3,(H,26,27)
InChIKeyGSXWDPOFUBTAFS-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.84
Rot. Bonds7

About 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide (PubChem CID 4548878) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
PubChem CID4548878
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C23H25N3OS/c1-4-5-6-18-7-9-19(10-8-18)22(27)26-20-11-13-21(14-12-20)28-23-24-16(2)15-17(3)25-23/h7-15H,4-6H2,1-3H3,(H,26,27)
InChIKeyGSXWDPOFUBTAFS-UHFFFAOYSA-N
XLogP5.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide 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-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55505444
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methoxymethyl)benzamide
CID 30900594
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
CID 30703297
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 5080814
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The IUPAC name of 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide (CID 4548878) is 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The canonical SMILES for 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide is CCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The InChIKey is GSXWDPOFUBTAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-4-5-6-18-7-9-19(10-8-18)22(27)26-20-11-13-21(14-12-20)28-23-24-16(2)15-17(3)25-23/h7-15H,4-6H2,1-3H3,(H,26,27).
What are the key properties of 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide has a molecular weight of 391.54 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide is sourced from PubChem (CID 4548878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).