3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide

C19H20N2O6S — CID 55377344

IUPAC3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H20N2O6S/c1-25-16-6-2-12(10-18(16)28(23,24)21-13-3-4-13)19(22)20-14-5-7-15-17(11-14)27-9-8-26-15/h2,5-7,10-11,13,21H,3-4,8-9H2,1H3,(H,20,22)
InChIKeyRRRYYGRXPIDSHG-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.16
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide (PubChem CID 55377344) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
PubChem CID55377344
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H20N2O6S/c1-25-16-6-2-12(10-18(16)28(23,24)21-13-3-4-13)19(22)20-14-5-7-15-17(11-14)27-9-8-26-15/h2,5-7,10-11,13,21H,3-4,8-9H2,1H3,(H,20,22)
InChIKeyRRRYYGRXPIDSHG-UHFFFAOYSA-N
XLogP2.16
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-2-methoxybenzenesulfonamide
CID 55455159
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
CID 26381192
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
3-(cyclopropylsulfamoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 9292477
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 4781795

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide (CID 55377344) is 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide?
The InChIKey is RRRYYGRXPIDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-25-16-6-2-12(10-18(16)28(23,24)21-13-3-4-13)19(22)20-14-5-7-15-17(11-14)27-9-8-26-15/h2,5-7,10-11,13,21H,3-4,8-9H2,1H3,(H,20,22).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide has a molecular weight of 404.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 55377344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).