(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate

C16H15N2O5S- — CID 6942072

IUPAC(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-14(10-8-13)24(22,23)18-15(16(20)21)12-5-3-2-4-6-12/h2-10,15,18H,1H3,(H,17,19)(H,20,21)/p-1/t15-/m1/s1
InChIKeyCPNDWLIIQRYPLM-OAHLLOKOSA-M
MW347.37 g/mol
LogP0.41
Rot. Bonds6

About (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate (PubChem CID 6942072) has the molecular formula C16H15N2O5S- and a molecular weight of 347.37 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
PubChem CID6942072
Molecular FormulaC16H15N2O5S-
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-14(10-8-13)24(22,23)18-15(16(20)21)12-5-3-2-4-6-12/h2-10,15,18H,1H3,(H,17,19)(H,20,21)/p-1/t15-/m1/s1
InChIKeyCPNDWLIIQRYPLM-OAHLLOKOSA-M
XLogP0.41
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2325636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate (CID 6942072) is (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is CPNDWLIIQRYPLM-OAHLLOKOSA-M. The full InChI is InChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-14(10-8-13)24(22,23)18-15(16(20)21)12-5-3-2-4-6-12/h2-10,15,18H,1H3,(H,17,19)(H,20,21)/p-1/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate?
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 347.37 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 6942072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).