3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid

C16H22N2O4S — CID 167947987

IUPAC3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid
SMILESC=CCN(CC=C)S(=O)(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O4S/c1-4-11-18(12-5-2)23(21,22)17-13-16(3,15(19)20)14-9-7-6-8-10-14/h4-10,17H,1-2,11-13H2,3H3,(H,19,20)
InChIKeyYMXCNENOPSHQNH-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.54
Rot. Bonds10

About 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid

3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid (PubChem CID 167947987) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid
PubChem CID167947987
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid
SMILESC=CCN(CC=C)S(=O)(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O4S/c1-4-11-18(12-5-2)23(21,22)17-13-16(3,15(19)20)14-9-7-6-8-10-14/h4-10,17H,1-2,11-13H2,3H3,(H,19,20)
InChIKeyYMXCNENOPSHQNH-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
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3-methyl-3-phenylhept-6-en-2-one
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N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
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2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
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CID 120701236

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid (CID 167947987) is 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid is C=CCN(CC=C)S(=O)(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is YMXCNENOPSHQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-11-18(12-5-2)23(21,22)17-13-16(3,15(19)20)14-9-7-6-8-10-14/h4-10,17H,1-2,11-13H2,3H3,(H,19,20).
What are the key properties of 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid?
3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 338.43 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 167947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).