2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid

C15H15NO4S2 — CID 166263601

IUPAC2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1sccc1C1CC1)c1ccccc1
InChIInChI=1S/C15H15NO4S2/c17-14(18)13(11-4-2-1-3-5-11)16-22(19,20)15-12(8-9-21-15)10-6-7-10/h1-5,8-10,13,16H,6-7H2,(H,17,18)
InChIKeySJQHBRUXQDLRGB-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.73
Rot. Bonds6

About 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid

2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid (PubChem CID 166263601) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
PubChem CID166263601
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1sccc1C1CC1)c1ccccc1
InChIInChI=1S/C15H15NO4S2/c17-14(18)13(11-4-2-1-3-5-11)16-22(19,20)15-12(8-9-21-15)10-6-7-10/h1-5,8-10,13,16H,6-7H2,(H,17,18)
InChIKeySJQHBRUXQDLRGB-UHFFFAOYSA-N
XLogP2.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
3-cyclopropyl-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 166369522
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 43089617
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
CID 122069433
(2S)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid
CID 103862420
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid (CID 166263601) is 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid is O=C(O)C(NS(=O)(=O)c1sccc1C1CC1)c1ccccc1.
What is the InChIKey of 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is SJQHBRUXQDLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c17-14(18)13(11-4-2-1-3-5-11)16-22(19,20)15-12(8-9-21-15)10-6-7-10/h1-5,8-10,13,16H,6-7H2,(H,17,18).
What are the key properties of 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid?
2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 337.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 166263601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).