2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate

C14H22N2O4S — CID 25061352

IUPAC2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
SMILESCCN(CCOC(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C
InChIInChI=1S/C14H22N2O4S/c1-4-16(11(2)3)9-10-20-14(17)12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,4,9-10H2,1-3H3,(H2,15,18,19)
InChIKeyUGYREFLMENMAPV-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.22
Rot. Bonds7

About 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate

2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate (PubChem CID 25061352) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
PubChem CID25061352
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
SMILESCCN(CCOC(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C
InChIInChI=1S/C14H22N2O4S/c1-4-16(11(2)3)9-10-20-14(17)12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,4,9-10H2,1-3H3,(H2,15,18,19)
InChIKeyUGYREFLMENMAPV-UHFFFAOYSA-N
XLogP1.22
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-sulfamoylbenzoate
CID 23274639
N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide
CID 68598587
3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate
CID 25061599
propyl 4-ethylsulfonylbenzoate
CID 142374823
4-propanoylbenzenesulfonamide
CID 70209431
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate
CID 10547935
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
CID 27483

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate (CID 25061352) is 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate is CCN(CCOC(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate?
The InChIKey is UGYREFLMENMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-16(11(2)3)9-10-20-14(17)12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,4,9-10H2,1-3H3,(H2,15,18,19).
What are the key properties of 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate?
2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate has a molecular weight of 314.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate is sourced from PubChem (CID 25061352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).