N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide

C19H19N3O5S — CID 56582632

IUPACN-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1)C(C)=O
InChIInChI=1S/C19H19N3O5S/c1-3-22(12(2)23)11-13-5-4-6-14(9-13)21-28(26,27)15-7-8-16-17(10-15)19(25)20-18(16)24/h4-10,21H,3,11H2,1-2H3,(H,20,24,25)
InChIKeyBOPSUNVHNWCDMR-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.74
Rot. Bonds6

About N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide

N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide (PubChem CID 56582632) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
PubChem CID56582632
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1)C(C)=O
InChIInChI=1S/C19H19N3O5S/c1-3-22(12(2)23)11-13-5-4-6-14(9-13)21-28(26,27)15-7-8-16-17(10-15)19(25)20-18(16)24/h4-10,21H,3,11H2,1-2H3,(H,20,24,25)
InChIKeyBOPSUNVHNWCDMR-UHFFFAOYSA-N
XLogP1.74
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532110
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 34338889
N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582602
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
CID 71738586

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide (CID 56582632) is N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide is CCN(Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1)C(C)=O.
What is the InChIKey of N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The InChIKey is BOPSUNVHNWCDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-22(12(2)23)11-13-5-4-6-14(9-13)21-28(26,27)15-7-8-16-17(10-15)19(25)20-18(16)24/h4-10,21H,3,11H2,1-2H3,(H,20,24,25).
What are the key properties of N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide has a molecular weight of 401.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide is sourced from PubChem (CID 56582632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).