N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide

C13H20N2O4S — CID 8838745

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-9(2)13(16)14-11-8-10(6-7-12(11)19-5)20(17,18)15(3)4/h6-9H,1-5H3,(H,14,16)
InChIKeyKDDSUMCXMOYTPH-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.54
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide (PubChem CID 8838745) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
PubChem CID8838745
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-9(2)13(16)14-11-8-10(6-7-12(11)19-5)20(17,18)15(3)4/h6-9H,1-5H3,(H,14,16)
InChIKeyKDDSUMCXMOYTPH-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 24647615
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712
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
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide (CID 8838745) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide?
The InChIKey is KDDSUMCXMOYTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)13(16)14-11-8-10(6-7-12(11)19-5)20(17,18)15(3)4/h6-9H,1-5H3,(H,14,16).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 8838745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).