(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid

C15H19N3O4S — CID 122069499

IUPAC(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
SMILESCC(C)c1nc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cn1C
InChIInChI=1S/C15H19N3O4S/c1-10(2)14-16-12(9-18(14)3)23(21,22)17-13(15(19)20)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyBHARNVBOTZSMDO-CYBMUJFWSA-N
MW337.40 g/mol
LogP1.65
Rot. Bonds6

About (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid

(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid (PubChem CID 122069499) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
PubChem CID122069499
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
SMILESCC(C)c1nc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cn1C
InChIInChI=1S/C15H19N3O4S/c1-10(2)14-16-12(9-18(14)3)23(21,22)17-13(15(19)20)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyBHARNVBOTZSMDO-CYBMUJFWSA-N
XLogP1.65
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 103862437
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
4-methyl-4-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]pentanoic acid
CID 122068700
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
CID 122302549
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79011211
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
CID 122069465
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid (CID 122069499) is (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid is CC(C)c1nc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cn1C.
What is the InChIKey of (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is BHARNVBOTZSMDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10(2)14-16-12(9-18(14)3)23(21,22)17-13(15(19)20)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid?
(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 337.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 122069499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).