N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide

C28H25NOS — CID 28632234

IUPACN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOS/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-31-26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30)/t27-/m1/s1
InChIKeyNGZCKASINAEOLF-HHHXNRCGSA-N
MW423.58 g/mol
LogP6.81
Rot. Bonds7

About N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide (PubChem CID 28632234) has the molecular formula C28H25NOS and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
PubChem CID28632234
Molecular FormulaC28H25NOS
Molecular Weight423.58 g/mol
Exact Mass423.17
IUPAC NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOS/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-31-26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30)/t27-/m1/s1
InChIKeyNGZCKASINAEOLF-HHHXNRCGSA-N
XLogP6.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)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-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 3950868
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide (CID 28632234) is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide is Cc1ccc([C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is NGZCKASINAEOLF-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H25NOS/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-31-26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30)/t27-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide?
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 423.58 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 28632234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).