N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C28H29N3O6S — CID 2957094

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H29N3O6S/c1-4-30(5-2)38(35,36)20-15-16-25(37-3)23(18-20)29-26(32)24(17-19-11-7-6-8-12-19)31-27(33)21-13-9-10-14-22(21)28(31)34/h6-16,18,24H,4-5,17H2,1-3H3,(H,29,32)
InChIKeyBFIDPAFMVVKSJG-UHFFFAOYSA-N
MW535.62 g/mol
LogP3.57
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 2957094) has the molecular formula C28H29N3O6S and a molecular weight of 535.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID2957094
Molecular FormulaC28H29N3O6S
Molecular Weight535.62 g/mol
Exact Mass535.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H29N3O6S/c1-4-30(5-2)38(35,36)20-15-16-25(37-3)23(18-20)29-26(32)24(17-19-11-7-6-8-12-19)31-27(33)21-13-9-10-14-22(21)28(31)34/h6-16,18,24H,4-5,17H2,1-3H3,(H,29,32)
InChIKeyBFIDPAFMVVKSJG-UHFFFAOYSA-N
XLogP3.57
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2791502
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 3313078
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2791524
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-phenylethyl)thiourea
CID 7939337
methyl 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 1112294
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 2957094) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is BFIDPAFMVVKSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O6S/c1-4-30(5-2)38(35,36)20-15-16-25(37-3)23(18-20)29-26(32)24(17-19-11-7-6-8-12-19)31-27(33)21-13-9-10-14-22(21)28(31)34/h6-16,18,24H,4-5,17H2,1-3H3,(H,29,32).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 535.62 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2957094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).