N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C21H23N3O4S — CID 16591753

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H23N3O4S/c1-14-9-10-16(13-19(14)29(27,28)23(3)4)22-20(25)11-12-24-15(2)17-7-5-6-8-18(17)21(24)26/h5-10,13H,2,11-12H2,1,3-4H3,(H,22,25)
InChIKeyAQMSYUKHADDECL-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.70
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 16591753) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID16591753
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H23N3O4S/c1-14-9-10-16(13-19(14)29(27,28)23(3)4)22-20(25)11-12-24-15(2)17-7-5-6-8-18(17)21(24)26/h5-10,13H,2,11-12H2,1,3-4H3,(H,22,25)
InChIKeyAQMSYUKHADDECL-UHFFFAOYSA-N
XLogP2.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
CID 16590437
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16599990
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
N-(2,3-dimethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 17435886
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16590769
propan-2-yl 4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate
CID 16598611
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 16591753) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is AQMSYUKHADDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-9-10-16(13-19(14)29(27,28)23(3)4)22-20(25)11-12-24-15(2)17-7-5-6-8-18(17)21(24)26/h5-10,13H,2,11-12H2,1,3-4H3,(H,22,25).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 413.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 16591753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).