3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide

C20H24N2O4S — CID 35781376

IUPAC3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-27(25,26)17-11-9-15(10-12-17)21-18(23)14-7-6-8-16(13-14)22-19(24)20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYLJWBDWWKLNLEB-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide (PubChem CID 35781376) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
PubChem CID35781376
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-27(25,26)17-11-9-15(10-12-17)21-18(23)14-7-6-8-16(13-14)22-19(24)20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYLJWBDWWKLNLEB-UHFFFAOYSA-N
XLogP3.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide
CID 1369130

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide (CID 35781376) is 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide is CCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide?
The InChIKey is YLJWBDWWKLNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-5-27(25,26)17-11-9-15(10-12-17)21-18(23)14-7-6-8-16(13-14)22-19(24)20(2,3)4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide is sourced from PubChem (CID 35781376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).