N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide

C23H23NO3S — CID 16284554

IUPAC4-(methylsulfonylmethyl)-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C
InChIInChI=1S/C23H23NO3S/c1-17(19-12-14-21(15-13-19)20-6-4-3-5-7-20)24-23(25)22-10-8-18(9-11-22)16-28(2,26)27/h3-15,17H,16H2,1-2H3,(H,24,25)
InChIKeyJNCOLCWGDJAZIG-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.90
Rot. Bonds6

About N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide

N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide (PubChem CID 16284554) has the molecular formula C23H23NO3S and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[1-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide
PubChem CID16284554
Molecular FormulaC23H23NO3S
Molecular Weight393.50 g/mol
Exact Mass393.14
IUPAC Name4-(methylsulfonylmethyl)-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C
InChIInChI=1S/C23H23NO3S/c1-17(19-12-14-21(15-13-19)20-6-4-3-5-7-20)24-23(25)22-10-8-18(9-11-22)16-28(2,26)27/h3-15,17H,16H2,1-2H3,(H,24,25)
InChIKeyJNCOLCWGDJAZIG-UHFFFAOYSA-N
XLogP3.90
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity590

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benzamide
CID 16725330
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide
CID 44475367
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methyl-benzamide
CID 130431474
N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
CID 167458918
4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2904040
N-Benzoyl-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-YL]-L-phenylalaninamide
CID 9547917
H-Cpa-Gly-Gly-Phe-Met-NH2
CID 44439866
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-4-methanesulfonyl-benzamide
CID 44475368
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 145989037

Frequently Asked Questions

What is the IUPAC name of N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide?
The IUPAC name of N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide (CID 16284554) is 4-(methylsulfonylmethyl)-N-[1-(4-phenylphenyl)ethyl]benzamide.
What is the SMILES notation for N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide?
The canonical SMILES for N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide is CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C.
What is the InChIKey of N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide?
The InChIKey is JNCOLCWGDJAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-17(19-12-14-21(15-13-19)20-6-4-3-5-7-20)24-23(25)22-10-8-18(9-11-22)16-28(2,26)27/h3-15,17H,16H2,1-2H3,(H,24,25).
What are the key properties of N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide?
N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide has a molecular weight of 393.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide is sourced from PubChem (CID 16284554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).