3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid

C17H22N2O4S2 — CID 110622005

IUPAC3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
SMILESCCN(CC)C(CNS(=O)(=O)c1cccc(C(=O)O)c1)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-19(4-2)15(16-9-6-10-24-16)12-18-25(22,23)14-8-5-7-13(11-14)17(20)21/h5-11,15,18H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySNLXETZEWFFTBX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.81
Rot. Bonds9

About 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid

3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid (PubChem CID 110622005) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
PubChem CID110622005
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
SMILESCCN(CC)C(CNS(=O)(=O)c1cccc(C(=O)O)c1)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-19(4-2)15(16-9-6-10-24-16)12-18-25(22,23)14-8-5-7-13(11-14)17(20)21/h5-11,15,18H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySNLXETZEWFFTBX-UHFFFAOYSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-[2-(diethylamino)-2-thiophen-2-ylethyl]cyclopentanesulfonamide
CID 110302742
ethyl 1-[3-[2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]acetyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 110830415
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 112503984
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
4-[[2-(diethylamino)-2-phenylethyl]sulfamoyl]benzamide
CID 86911832
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid (CID 110622005) is 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid is CCN(CC)C(CNS(=O)(=O)c1cccc(C(=O)O)c1)c1cccs1.
What is the InChIKey of 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The InChIKey is SNLXETZEWFFTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-3-19(4-2)15(16-9-6-10-24-16)12-18-25(22,23)14-8-5-7-13(11-14)17(20)21/h5-11,15,18H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid has a molecular weight of 382.51 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 110622005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).