N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C21H23N3O5S — CID 30436881

IUPACN-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C2=O
InChIInChI=1S/C21H23N3O5S/c1-14-6-11-17-18(13-14)21(27)24(20(17)26)12-4-5-19(25)22-15-7-9-16(10-8-15)30(28,29)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)
InChIKeySDUZGQHJHIUAIQ-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.26
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 30436881) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID30436881
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C2=O
InChIInChI=1S/C21H23N3O5S/c1-14-6-11-17-18(13-14)21(27)24(20(17)26)12-4-5-19(25)22-15-7-9-16(10-8-15)30(28,29)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)
InChIKeySDUZGQHJHIUAIQ-UHFFFAOYSA-N
XLogP2.26
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.26
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-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55797969
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide
CID 46473246
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 30439511
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 30436881) is N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C2=O.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is SDUZGQHJHIUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-6-11-17-18(13-14)21(27)24(20(17)26)12-4-5-19(25)22-15-7-9-16(10-8-15)30(28,29)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 429.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 30436881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).