4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane

C29H29ClN2O4S — CID 143191284

IUPAC4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane
SMILESCC.COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4cccc(CS(C)(=O)=O)c4)cc3)c2)cn1
InChIInChI=1S/C27H23ClN2O4S.C2H6/c1-34-26-13-11-23(16-29-26)30-27(31)22-10-12-25(28)24(15-22)20-8-6-19(7-9-20)21-5-3-4-18(14-21)17-35(2,32)33;1-2/h3-16H,17H2,1-2H3,(H,30,31);1-2H3
InChIKeyCEIGPOMJGOAPRQ-UHFFFAOYSA-N
MW537.08 g/mol
LogP6.90
Rot. Bonds7

About 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane

4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane (PubChem CID 143191284) has the molecular formula C29H29ClN2O4S and a molecular weight of 537.08 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane
PubChem CID143191284
Molecular FormulaC29H29ClN2O4S
Molecular Weight537.08 g/mol
Exact Mass536.15
IUPAC Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane
SMILESCC.COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4cccc(CS(C)(=O)=O)c4)cc3)c2)cn1
InChIInChI=1S/C27H23ClN2O4S.C2H6/c1-34-26-13-11-23(16-29-26)30-27(31)22-10-12-25(28)24(15-22)20-8-6-19(7-9-20)21-5-3-4-18(14-21)17-35(2,32)33;1-2/h3-16H,17H2,1-2H3,(H,30,31);1-2H3
InChIKeyCEIGPOMJGOAPRQ-UHFFFAOYSA-N
XLogP6.90
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.08
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane 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-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
CID 91556958
4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 11582018
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11690553
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
3-fluoro-N-(6-methoxy-3-pyridinyl)-5-(4-phenylphenyl)benzamide
CID 11646958
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 26126263
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane?
The IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane (CID 143191284) is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane.
What is the SMILES notation for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane?
The canonical SMILES for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane is CC.COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4cccc(CS(C)(=O)=O)c4)cc3)c2)cn1.
What is the InChIKey of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane?
The InChIKey is CEIGPOMJGOAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4S.C2H6/c1-34-26-13-11-23(16-29-26)30-27(31)22-10-12-25(28)24(15-22)20-8-6-19(7-9-20)21-5-3-4-18(14-21)17-35(2,32)33;1-2/h3-16H,17H2,1-2H3,(H,30,31);1-2H3.
What are the key properties of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane?
4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane has a molecular weight of 537.08 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane is sourced from PubChem (CID 143191284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).