4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide

C29H26N2O2S2 — CID 43980966

IUPAC4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(SC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O2S2/c1-34-26-15-7-22(8-16-26)28(32)30-24-11-3-20(4-12-24)19-21-5-13-25(14-6-21)31-29(33)23-9-17-27(35-2)18-10-23/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyFRLXZWFWGKYEGK-UHFFFAOYSA-N
MW498.67 g/mol
LogP7.23
Rot. Bonds8

About 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide

4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 43980966) has the molecular formula C29H26N2O2S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID43980966
Molecular FormulaC29H26N2O2S2
Molecular Weight498.67 g/mol
Exact Mass498.14
IUPAC Name4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(SC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O2S2/c1-34-26-15-7-22(8-16-26)28(32)30-24-11-3-20(4-12-24)19-21-5-13-25(14-6-21)31-29(33)23-9-17-27(35-2)18-10-23/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyFRLXZWFWGKYEGK-UHFFFAOYSA-N
XLogP7.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]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

4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
4-cyclopentyloxy-N-(4-methylsulfanylphenyl)benzamide
CID 39100305

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 43980966) is 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide is CSc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(SC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is FRLXZWFWGKYEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2S2/c1-34-26-15-7-22(8-16-26)28(32)30-24-11-3-20(4-12-24)19-21-5-13-25(14-6-21)31-29(33)23-9-17-27(35-2)18-10-23/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide?
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 498.67 g/mol, XLogP of 7.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 43980966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).