N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C26H25N3O5S — CID 3313078

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H25N3O5S/c1-17-13-14-19(35(33,34)28(2)3)16-22(17)27-24(30)23(15-18-9-5-4-6-10-18)29-25(31)20-11-7-8-12-21(20)26(29)32/h4-14,16,23H,15H2,1-3H3,(H,27,30)
InChIKeyRBHMUWGNHPLXFD-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.09
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 3313078) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID3313078
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H25N3O5S/c1-17-13-14-19(35(33,34)28(2)3)16-22(17)27-24(30)23(15-18-9-5-4-6-10-18)29-25(31)20-11-7-8-12-21(20)26(29)32/h4-14,16,23H,15H2,1-3H3,(H,27,30)
InChIKeyRBHMUWGNHPLXFD-UHFFFAOYSA-N
XLogP3.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2957094
(2S)-N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 1050341
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)-3-phenylpropanamide
CID 7067695
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2,5-dimethylphenyl)-3-phenylpropanamide
CID 1341132
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 55780672
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
CID 24802467
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2791502
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 3313078) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is RBHMUWGNHPLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-17-13-14-19(35(33,34)28(2)3)16-22(17)27-24(30)23(15-18-9-5-4-6-10-18)29-25(31)20-11-7-8-12-21(20)26(29)32/h4-14,16,23H,15H2,1-3H3,(H,27,30).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 491.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 3313078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).