4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid

C17H22N2O4S2 — CID 46292359

IUPAC4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCCCN(CCC)c1ccc(C(=O)O)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-9-19(10-4-2)15-8-7-13(17(20)21)12-14(15)18-25(22,23)16-6-5-11-24-16/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyIKFURWUWPCGLJL-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.87
Rot. Bonds9

About 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid

4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 46292359) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID46292359
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCCCN(CCC)c1ccc(C(=O)O)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-3-9-19(10-4-2)15-8-7-13(17(20)21)12-14(15)18-25(22,23)16-6-5-11-24-16/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyIKFURWUWPCGLJL-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethyl-ethylamino]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292396
4-[benzyl(ethyl)amino]-3-(thiophen-2-ylsulfonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055811
3-[(2,5-dimethylphenyl)sulfonylamino]-4-(dipropylamino)benzoic acid
CID 50767094
3-amino-4-[ethyl(thiophen-2-ylsulfonyl)amino]benzoic acid
CID 63119138
4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50767053
4-[butyl(ethyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50767103
4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
CID 50766989
4-[butyl(ethyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052985
3-[(4-acetylphenyl)sulfonylamino]-4-[benzyl(butyl)amino]benzoic acid
CID 46292415
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291877

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid (CID 46292359) is 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid is CCCN(CCC)c1ccc(C(=O)O)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is IKFURWUWPCGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-3-9-19(10-4-2)15-8-7-13(17(20)21)12-14(15)18-25(22,23)16-6-5-11-24-16/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid?
4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 382.51 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-3-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 46292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).