N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide

C19H22N2O6S — CID 3487995

IUPACN-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C19H22N2O6S/c1-4-26-17-11-6-14(12-18(17)27-5-2)19(23)20-15-7-9-16(10-8-15)28(24,25)21-13(3)22/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAGYRIWNABPYOME-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.56
Rot. Bonds8

About N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide

N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide (PubChem CID 3487995) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
PubChem CID3487995
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C19H22N2O6S/c1-4-26-17-11-6-14(12-18(17)27-5-2)19(23)20-15-7-9-16(10-8-15)28(24,25)21-13(3)22/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAGYRIWNABPYOME-UHFFFAOYSA-N
XLogP2.56
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide
CID 4883352
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide
CID 17074012
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55551961
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide (CID 3487995) is N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OCC.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide?
The InChIKey is AGYRIWNABPYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-26-17-11-6-14(12-18(17)27-5-2)19(23)20-15-7-9-16(10-8-15)28(24,25)21-13(3)22/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide?
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide has a molecular weight of 406.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 3487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).