5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid

C16H17NO6S2 — CID 166239536

IUPAC5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C16H17NO6S2/c1-16(2,3)23-15(20)10-5-4-6-12(7-10)17-25(21,22)13-8-11(9-24-13)14(18)19/h4-9,17H,1-3H3,(H,18,19)
InChIKeyHDEYLYGNRANXQD-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.20
Rot. Bonds5

About 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 166239536) has the molecular formula C16H17NO6S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID166239536
Molecular FormulaC16H17NO6S2
Molecular Weight383.45 g/mol
Exact Mass383.05
IUPAC Name5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C16H17NO6S2/c1-16(2,3)23-15(20)10-5-4-6-12(7-10)17-25(21,22)13-8-11(9-24-13)14(18)19/h4-9,17H,1-3H3,(H,18,19)
InChIKeyHDEYLYGNRANXQD-UHFFFAOYSA-N
XLogP3.20
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
tert-butyl 3-(2-trimethylsilylethylsulfonylamino)benzoate
CID 25001347
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
tert-butyl 3-(ethylamino)benzoate
CID 18375541
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid (CID 166239536) is 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1.
What is the InChIKey of 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is HDEYLYGNRANXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S2/c1-16(2,3)23-15(20)10-5-4-6-12(7-10)17-25(21,22)13-8-11(9-24-13)14(18)19/h4-9,17H,1-3H3,(H,18,19).
What are the key properties of 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 166239536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).