2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid

C15H17NO4S2 — CID 166253234

IUPAC2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid
SMILESCc1csc(C)c1S(=O)(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO4S2/c1-10-9-21-11(2)13(10)22(19,20)16-15(3,14(17)18)12-7-5-4-6-8-12/h4-9,16H,1-3H3,(H,17,18)
InChIKeyDIAGPNVZJMNHQV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid

2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid (PubChem CID 166253234) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid
PubChem CID166253234
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid
SMILESCc1csc(C)c1S(=O)(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO4S2/c1-10-9-21-11(2)13(10)22(19,20)16-15(3,14(17)18)12-7-5-4-6-8-12/h4-9,16H,1-3H3,(H,17,18)
InChIKeyDIAGPNVZJMNHQV-UHFFFAOYSA-N
XLogP2.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
(2R)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
CID 52501779
(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
CID 52501778
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
CID 62487843
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62488191
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 3844087
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 62789159
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-phenylpropanoic acid
CID 83152132

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid (CID 166253234) is 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid is Cc1csc(C)c1S(=O)(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid?
The InChIKey is DIAGPNVZJMNHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-10-9-21-11(2)13(10)22(19,20)16-15(3,14(17)18)12-7-5-4-6-8-12/h4-9,16H,1-3H3,(H,17,18).
What are the key properties of 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid?
2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid has a molecular weight of 339.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 166253234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).