N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide

C14H22N2O4S — CID 115606628

IUPACN-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOCC(C)(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-20-3)16-13(17)9-6-11-4-7-12(8-5-11)21(15,18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyVYYHGBWSRFVPPR-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.81
Rot. Bonds7

About N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide

N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 115606628) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID115606628
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOCC(C)(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-20-3)16-13(17)9-6-11-4-7-12(8-5-11)21(15,18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyVYYHGBWSRFVPPR-UHFFFAOYSA-N
XLogP0.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide (CID 115606628) is N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide is COCC(C)(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is VYYHGBWSRFVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,10-20-3)16-13(17)9-6-11-4-7-12(8-5-11)21(15,18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 115606628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).