N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide

C29H28N2O3S — CID 173090608

IUPACN-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2-c2cccc(-c3cccc(CNS(C)(=O)=O)c3)c2)cc1
InChIInChI=1S/C29H28N2O3S/c1-21(32)30-19-22-13-15-24(16-14-22)28-11-3-4-12-29(28)27-10-6-9-26(18-27)25-8-5-7-23(17-25)20-31-35(2,33)34/h3-18,31H,19-20H2,1-2H3,(H,30,32)
InChIKeyCIRHCAHEOPHFOH-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.37
Rot. Bonds8

About N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide

N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide (PubChem CID 173090608) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
PubChem CID173090608
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC NameN-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2-c2cccc(-c3cccc(CNS(C)(=O)=O)c3)c2)cc1
InChIInChI=1S/C29H28N2O3S/c1-21(32)30-19-22-13-15-24(16-14-22)28-11-3-4-12-29(28)27-10-6-9-26(18-27)25-8-5-7-23(17-25)20-31-35(2,33)34/h3-18,31H,19-20H2,1-2H3,(H,30,32)
InChIKeyCIRHCAHEOPHFOH-UHFFFAOYSA-N
XLogP5.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123553021
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)
CID 159182025
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
CID 70601747
CID 70601747
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783
N-benzylacetamide;toluene
CID 175498463
3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 110121992
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[[(5S)-3-[3-fluoro-4-[3-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11655005

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide (CID 173090608) is N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ccccc2-c2cccc(-c3cccc(CNS(C)(=O)=O)c3)c2)cc1.
What is the InChIKey of N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide?
The InChIKey is CIRHCAHEOPHFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-21(32)30-19-22-13-15-24(16-14-22)28-11-3-4-12-29(28)27-10-6-9-26(18-27)25-8-5-7-23(17-25)20-31-35(2,33)34/h3-18,31H,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide?
N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 173090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).