N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide

C20H24N2O4S — CID 113142761

IUPACN-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccccc1N(CCC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-4-16-7-5-6-8-19(16)22(27(3,25)26)14-13-20(24)21-18-11-9-17(10-12-18)15(2)23/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyQQVRCPDAVBUIPD-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.25
Rot. Bonds8

About N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide

N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142761) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142761
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccccc1N(CCC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-4-16-7-5-6-8-19(16)22(27(3,25)26)14-13-20(24)21-18-11-9-17(10-12-18)15(2)23/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyQQVRCPDAVBUIPD-UHFFFAOYSA-N
XLogP3.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
methyl 4-[3-(N-acetyl-2-ethylanilino)propanoylamino]benzoate
CID 113125293
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide (CID 113142761) is N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide is CCc1ccccc1N(CCC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is QQVRCPDAVBUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-16-7-5-6-8-19(16)22(27(3,25)26)14-13-20(24)21-18-11-9-17(10-12-18)15(2)23/h5-12H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).