3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide

C20H22N2O5S — CID 55794158

IUPAC3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O5S/c1-13-7-9-16(10-8-13)19(21-15(3)24)12-20(25)22-28(26,27)18-6-4-5-17(11-18)14(2)23/h4-11,19H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFTHUIJWFYKOWCU-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.27
Rot. Bonds7

About 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide

3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide (PubChem CID 55794158) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide
PubChem CID55794158
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O5S/c1-13-7-9-16(10-8-13)19(21-15(3)24)12-20(25)22-28(26,27)18-6-4-5-17(11-18)14(2)23/h4-11,19H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFTHUIJWFYKOWCU-UHFFFAOYSA-N
XLogP2.27
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486
3-(4-methylphenyl)-3-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 45338533
3-acetyl-N-[cyano-(4-methylphenyl)methyl]benzenesulfonamide
CID 110664264
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378833
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
CID 55379596
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide
CID 94190927

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide (CID 55794158) is 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide?
The InChIKey is FTHUIJWFYKOWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-13-7-9-16(10-8-13)19(21-15(3)24)12-20(25)22-28(26,27)18-6-4-5-17(11-18)14(2)23/h4-11,19H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide?
3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide has a molecular weight of 402.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-acetylphenyl)sulfonyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55794158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).