3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide

C25H27NO4S — CID 158055999

IUPAC3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
SMILESCCc1cccc(CS(=O)(=O)c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2OC)c1
InChIInChI=1S/C25H27NO4S/c1-5-18-8-6-9-19(14-18)17-31(28,29)24-16-21(12-13-23(24)30-4)20-10-7-11-22(15-20)25(27)26(2)3/h6-16H,5,17H2,1-4H3
InChIKeyGZLPDUBNEHXBNR-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.60
Rot. Bonds7

About 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide

3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide (PubChem CID 158055999) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
PubChem CID158055999
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
SMILESCCc1cccc(CS(=O)(=O)c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2OC)c1
InChIInChI=1S/C25H27NO4S/c1-5-18-8-6-9-19(14-18)17-31(28,29)24-16-21(12-13-23(24)30-4)20-10-7-11-22(15-20)25(27)26(2)3/h6-16H,5,17H2,1-4H3
InChIKeyGZLPDUBNEHXBNR-UHFFFAOYSA-N
XLogP4.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
3-[3-[(1S)-1-iodoethyl]sulfonyl-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 145204144
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
3-methoxy-N-[3-[3-[[2-methoxy-5-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]sulfonylmethyl]phenyl]propyl]benzamide
CID 158738608
N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methoxy-N-methylbenzamide
CID 122610507
3-[3-[[(7S,8S)-8-[benzyl(methyl)amino]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 163528634
5-(3-acetylphenyl)-2-methoxybenzenesulfonamide
CID 134424297
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
5-(dimethylamino)-N-[3-[3-[[5-(2-fluorophenyl)-2-methoxyphenyl]sulfonylmethyl]phenyl]propyl]-2-methylbenzamide
CID 158499051
3-cyano-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
CID 122610596
3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 156717586

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide (CID 158055999) is 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide is CCc1cccc(CS(=O)(=O)c2cc(-c3cccc(C(=O)N(C)C)c3)ccc2OC)c1.
What is the InChIKey of 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide?
The InChIKey is GZLPDUBNEHXBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c1-5-18-8-6-9-19(14-18)17-31(28,29)24-16-21(12-13-23(24)30-4)20-10-7-11-22(15-20)25(27)26(2)3/h6-16H,5,17H2,1-4H3.
What are the key properties of 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide?
3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide has a molecular weight of 437.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158055999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).