2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid

C13H20N2O4S — CID 43361897

IUPAC2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
SMILESCCN(c1ccc(NS(=O)(=O)CC(=O)O)cc1)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-4-15(10(2)3)12-7-5-11(6-8-12)14-20(18,19)9-13(16)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17)
InChIKeyMPUIWADIOWEGOU-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.75
Rot. Bonds7

About 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid

2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid (PubChem CID 43361897) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
PubChem CID43361897
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
SMILESCCN(c1ccc(NS(=O)(=O)CC(=O)O)cc1)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-4-15(10(2)3)12-7-5-11(6-8-12)14-20(18,19)9-13(16)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17)
InChIKeyMPUIWADIOWEGOU-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[4-[ethyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 83084852
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
2-[(4-acetamidophenyl)sulfamoyl]acetic acid
CID 28774285
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 7892131
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid (CID 43361897) is 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid is CCN(c1ccc(NS(=O)(=O)CC(=O)O)cc1)C(C)C.
What is the InChIKey of 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid?
The InChIKey is MPUIWADIOWEGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-15(10(2)3)12-7-5-11(6-8-12)14-20(18,19)9-13(16)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid?
2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43361897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).