N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide

C17H21N3O7S2 — CID 25331599

IUPACN-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc1NC(C)=O
InChIInChI=1S/C17H21N3O7S2/c1-11(21)18-15-9-12(6-8-17(15)27-4)28(23,24)19-14-10-13(5-7-16(14)22)29(25,26)20(2)3/h5-10,19,22H,1-4H3,(H,18,21)
InChIKeyAVEPCIBPXWOWGN-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.41
Rot. Bonds7

About N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 25331599) has the molecular formula C17H21N3O7S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID25331599
Molecular FormulaC17H21N3O7S2
Molecular Weight443.50 g/mol
Exact Mass443.08
IUPAC NameN-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc1NC(C)=O
InChIInChI=1S/C17H21N3O7S2/c1-11(21)18-15-9-12(6-8-17(15)27-4)28(23,24)19-14-10-13(5-7-16(14)22)29(25,26)20(2)3/h5-10,19,22H,1-4H3,(H,18,21)
InChIKeyAVEPCIBPXWOWGN-UHFFFAOYSA-N
XLogP1.41
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24502312
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
N-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514301

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 25331599) is N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc1NC(C)=O.
What is the InChIKey of N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is AVEPCIBPXWOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7S2/c1-11(21)18-15-9-12(6-8-17(15)27-4)28(23,24)19-14-10-13(5-7-16(14)22)29(25,26)20(2)3/h5-10,19,22H,1-4H3,(H,18,21).
What are the key properties of N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(dimethylsulfamoyl)-2-hydroxyphenyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 25331599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).