N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide

C13H20N2O4S — CID 62677873

IUPACN-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-5-13(2,3)12(16)15-9-6-7-11(20(14,17)18)10(8-9)19-4/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyIXGCIOKGZXFCCA-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.72
Rot. Bonds5

About N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide

N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide (PubChem CID 62677873) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
PubChem CID62677873
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-5-13(2,3)12(16)15-9-6-7-11(20(14,17)18)10(8-9)19-4/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyIXGCIOKGZXFCCA-UHFFFAOYSA-N
XLogP1.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949404
(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
CID 20793594
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
methyl 3-(2,2-dimethylbutanoylamino)benzenesulfonate
CID 59464563
N-(4-bromo-3-methoxyphenyl)-2-carbamothioyl-2-methylbutanamide
CID 82867900
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide (CID 62677873) is N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)c(OC)c1.
What is the InChIKey of N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
The InChIKey is IXGCIOKGZXFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-13(2,3)12(16)15-9-6-7-11(20(14,17)18)10(8-9)19-4/h6-8H,5H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide?
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide has a molecular weight of 300.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62677873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).