N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide

C28H26N2O4S — CID 24807436

IUPACN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide
SMILESCN(c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C28H26N2O4S/c1-30(35(2,32)33)26-18-17-25(19-27(26)34-20-21-9-5-3-6-10-21)29-28(31)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyMMTONIVSBYCXLL-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.58
Rot. Bonds8

About N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide

N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide (PubChem CID 24807436) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide
PubChem CID24807436
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC NameN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide
SMILESCN(c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C28H26N2O4S/c1-30(35(2,32)33)26-18-17-25(19-27(26)34-20-21-9-5-3-6-10-21)29-28(31)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyMMTONIVSBYCXLL-UHFFFAOYSA-N
XLogP5.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide (CID 24807436) is N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide is CN(c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide?
The InChIKey is MMTONIVSBYCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-30(35(2,32)33)26-18-17-25(19-27(26)34-20-21-9-5-3-6-10-21)29-28(31)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-19H,20H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide?
N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide has a molecular weight of 486.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 24807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).