4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid

C19H24FNO4S2 — CID 139712800

IUPAC4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C19H24FNO4S2/c1-2-3-6-17(18-13-10-15(26-18)5-4-7-19(22)23)21-27(24,25)16-11-8-14(20)9-12-16/h8-13,17,21H,2-7H2,1H3,(H,22,23)
InChIKeyXQJUWNNIQQXBMP-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.50
Rot. Bonds11

About 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid

4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid (PubChem CID 139712800) has the molecular formula C19H24FNO4S2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid
PubChem CID139712800
Molecular FormulaC19H24FNO4S2
Molecular Weight413.54 g/mol
Exact Mass413.11
IUPAC Name4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C19H24FNO4S2/c1-2-3-6-17(18-13-10-15(26-18)5-4-7-19(22)23)21-27(24,25)16-11-8-14(20)9-12-16/h8-13,17,21H,2-7H2,1H3,(H,22,23)
InChIKeyXQJUWNNIQQXBMP-UHFFFAOYSA-N
XLogP4.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[6-fluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 67579857
4-[5-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]thiophen-2-yl]butanoic acid
CID 67579336
methyl 4-[5-[6,6,6-trifluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoate
CID 67579333
methyl 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-6-methylheptyl]thiophen-2-yl]butanoate
CID 139712838
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
CID 139616882
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
methyl 9-[(4-fluorophenyl)sulfonylamino]-9-phenylnonanoate
CID 139616966
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid
CID 141001212
3-[2-[(4-fluorophenyl)sulfonylamino]butanoyl-methylamino]propanoic acid
CID 110496389

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid (CID 139712800) is 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid is CCCCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(CCCC(=O)O)s1.
What is the InChIKey of 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid?
The InChIKey is XQJUWNNIQQXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4S2/c1-2-3-6-17(18-13-10-15(26-18)5-4-7-19(22)23)21-27(24,25)16-11-8-14(20)9-12-16/h8-13,17,21H,2-7H2,1H3,(H,22,23).
What are the key properties of 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid?
4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid has a molecular weight of 413.54 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid is sourced from PubChem (CID 139712800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).