2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

C14H19NO4S — CID 19965196

IUPAC2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-14(2,3)15(11-13(16)17)20(18,19)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+
InChIKeyIEGZWPFBGJUVIY-MDZDMXLPSA-N
MW297.38 g/mol
LogP2.17
Rot. Bonds5

About 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (PubChem CID 19965196) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
PubChem CID19965196
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-14(2,3)15(11-13(16)17)20(18,19)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+
InChIKeyIEGZWPFBGJUVIY-MDZDMXLPSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913172
2-[(2-amino-2-oxoethyl)-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 107435617
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472
(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 55702806
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
CID 115755506
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626732

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (CID 19965196) is 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is CC(C)(C)N(CC(=O)O)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The InChIKey is IEGZWPFBGJUVIY-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2,3)15(11-13(16)17)20(18,19)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+.
What are the key properties of 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 19965196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).