N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide

C18H17N3O6S — CID 2542429

IUPACN-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1NC(C)=O
InChIInChI=1S/C18H17N3O6S/c1-10(22)19-15-7-5-12(9-16(15)27-3)28(25,26)20-11-4-6-13-14(8-11)18(24)21(2)17(13)23/h4-9,20H,1-3H3,(H,19,22)
InChIKeySGQJAUQMZBNIDA-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.68
Rot. Bonds5

About N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide

N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2542429) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID2542429
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC NameN-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1NC(C)=O
InChIInChI=1S/C18H17N3O6S/c1-10(22)19-15-7-5-12(9-16(15)27-3)28(25,26)20-11-4-6-13-14(8-11)18(24)21(2)17(13)23/h4-9,20H,1-3H3,(H,19,22)
InChIKeySGQJAUQMZBNIDA-UHFFFAOYSA-N
XLogP1.68
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfonyl)butanamide
CID 662699
2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxoisoindoline-4-carboxamide
CID 3239814
N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 164938650
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 166632365
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 20858997
3-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 654332
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655
4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 1093447
4-[(3-Methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid ethyl ester
CID 1093449
2-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid methyl ester
CID 1093451

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide (CID 2542429) is N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide is COc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is SGQJAUQMZBNIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-10(22)19-15-7-5-12(9-16(15)27-3)28(25,26)20-11-4-6-13-14(8-11)18(24)21(2)17(13)23/h4-9,20H,1-3H3,(H,19,22).
What are the key properties of N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide?
N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 403.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2542429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).