3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid

C14H15NO4S2 — CID 115339486

IUPAC3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)O)c2)s1
InChIInChI=1S/C14H15NO4S2/c1-10-5-8-14(20-10)21(18,19)15-12-4-2-3-11(9-12)6-7-13(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyZREDZKFECZLJPO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.87
Rot. Bonds6

About 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid

3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid (PubChem CID 115339486) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
PubChem CID115339486
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)O)c2)s1
InChIInChI=1S/C14H15NO4S2/c1-10-5-8-14(20-10)21(18,19)15-12-4-2-3-11(9-12)6-7-13(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyZREDZKFECZLJPO-UHFFFAOYSA-N
XLogP2.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
CID 110726306
3-[3-(propan-2-ylsulfamoylamino)phenyl]propanoic acid
CID 114806847
3-[(5-methylthiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 29298153
3-[3-(prop-2-enylsulfonylamino)phenyl]propanoic acid
CID 115339509
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid (CID 115339486) is 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid is Cc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)O)c2)s1.
What is the InChIKey of 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid?
The InChIKey is ZREDZKFECZLJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10-5-8-14(20-10)21(18,19)15-12-4-2-3-11(9-12)6-7-13(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid?
3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid is sourced from PubChem (CID 115339486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).