N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide

C14H22N2O4S — CID 27211549

IUPACN-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)NCC(C)C)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-14(17)16-12-8-11(6-7-13(12)20-4)21(18,19)15-9-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyFZBQQQIMLRJECD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.98
Rot. Bonds7

About N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide

N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 27211549) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID27211549
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)NCC(C)C)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-14(17)16-12-8-11(6-7-13(12)20-4)21(18,19)15-9-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyFZBQQQIMLRJECD-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 27211549) is N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)NCC(C)C)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is FZBQQQIMLRJECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-14(17)16-12-8-11(6-7-13(12)20-4)21(18,19)15-9-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27211549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).