4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide

C20H24N2O5S — CID 37257823

IUPAC4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-14-5-7-15(8-6-14)18(23)11-12-20(24)21-16-9-10-17(19(13-16)27-2)22-28(3,25)26/h5-10,13,22H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyMCTPXYRETOFOKR-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.23
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide (PubChem CID 37257823) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide
PubChem CID37257823
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-14-5-7-15(8-6-14)18(23)11-12-20(24)21-16-9-10-17(19(13-16)27-2)22-28(3,25)26/h5-10,13,22H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyMCTPXYRETOFOKR-UHFFFAOYSA-N
XLogP3.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 119419435
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
CID 60509529
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide (CID 37257823) is 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide?
The InChIKey is MCTPXYRETOFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-14-5-7-15(8-6-14)18(23)11-12-20(24)21-16-9-10-17(19(13-16)27-2)22-28(3,25)26/h5-10,13,22H,4,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide has a molecular weight of 404.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide is sourced from PubChem (CID 37257823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).