N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide

C19H19N3O5S — CID 56560691

IUPACN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-11(2)9-17(23)20-12-3-5-13(6-4-12)22-28(26,27)14-7-8-15-16(10-14)19(25)21-18(15)24/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyFTWJLJSAJVVBGA-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.36
Rot. Bonds6

About N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide

N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide (PubChem CID 56560691) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
PubChem CID56560691
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-11(2)9-17(23)20-12-3-5-13(6-4-12)22-28(26,27)14-7-8-15-16(10-14)19(25)21-18(15)24/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyFTWJLJSAJVVBGA-UHFFFAOYSA-N
XLogP2.36
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56582601
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
CID 20946713
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide (CID 56560691) is N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide?
The InChIKey is FTWJLJSAJVVBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-11(2)9-17(23)20-12-3-5-13(6-4-12)22-28(26,27)14-7-8-15-16(10-14)19(25)21-18(15)24/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)(H,21,24,25).
What are the key properties of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide?
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide has a molecular weight of 401.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 56560691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).