(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid

C10H14N2O4S — CID 103862444

IUPAC(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
SMILESCCNS(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-2-11-17(15,16)12-9(10(13)14)8-6-4-3-5-7-8/h3-7,9,11-12H,2H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQIVUDSCNOBCZJU-VIFPVBQESA-N
MW258.30 g/mol
LogP0.26
Rot. Bonds6

About (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid

(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid (PubChem CID 103862444) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
PubChem CID103862444
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
SMILESCCNS(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-2-11-17(15,16)12-9(10(13)14)8-6-4-3-5-7-8/h3-7,9,11-12H,2H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQIVUDSCNOBCZJU-VIFPVBQESA-N
XLogP0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
(2R)-2-(hexan-3-ylsulfonylamino)-2-phenylacetic acid
CID 122069461
2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide
CID 110626060
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid (CID 103862444) is (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid is CCNS(=O)(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid?
The InChIKey is QIVUDSCNOBCZJU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-11-17(15,16)12-9(10(13)14)8-6-4-3-5-7-8/h3-7,9,11-12H,2H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid?
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid has a molecular weight of 258.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 103862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).