2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid

C14H21NO5S — CID 43659128

IUPAC2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
SMILESCCCN(CC)S(=O)(=O)c1ccc(OC)cc1CC(=O)O
InChIInChI=1S/C14H21NO5S/c1-4-8-15(5-2)21(18,19)13-7-6-12(20-3)9-11(13)10-14(16)17/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyGKYOAUVTVMISGK-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.74
Rot. Bonds8

About 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid

2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid (PubChem CID 43659128) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
PubChem CID43659128
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
SMILESCCCN(CC)S(=O)(=O)c1ccc(OC)cc1CC(=O)O
InChIInChI=1S/C14H21NO5S/c1-4-8-15(5-2)21(18,19)13-7-6-12(20-3)9-11(13)10-14(16)17/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyGKYOAUVTVMISGK-UHFFFAOYSA-N
XLogP1.74
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
CID 43659129
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid (CID 43659128) is 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid is CCCN(CC)S(=O)(=O)c1ccc(OC)cc1CC(=O)O.
What is the InChIKey of 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid?
The InChIKey is GKYOAUVTVMISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-8-15(5-2)21(18,19)13-7-6-12(20-3)9-11(13)10-14(16)17/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid?
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid has a molecular weight of 315.39 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid is sourced from PubChem (CID 43659128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).