N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide

C15H22N2O4S — CID 113052336

IUPACN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)c1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C15H22N2O4S/c1-5-9-17(13(3)18)10-8-16-22(19,20)15-11-12(2)6-7-14(15)21-4/h5-7,11,16H,1,8-10H2,2-4H3
InChIKeyPONDCFJKZAKTSU-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.32
Rot. Bonds8

About N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide

N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide (PubChem CID 113052336) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
PubChem CID113052336
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)c1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C15H22N2O4S/c1-5-9-17(13(3)18)10-8-16-22(19,20)15-11-12(2)6-7-14(15)21-4/h5-7,11,16H,1,8-10H2,2-4H3
InChIKeyPONDCFJKZAKTSU-UHFFFAOYSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052320
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053358
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 39368097
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide (CID 113052336) is N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide is C=CCN(CCNS(=O)(=O)c1cc(C)ccc1OC)C(C)=O.
What is the InChIKey of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The InChIKey is PONDCFJKZAKTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-9-17(13(3)18)10-8-16-22(19,20)15-11-12(2)6-7-14(15)21-4/h5-7,11,16H,1,8-10H2,2-4H3.
What are the key properties of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide has a molecular weight of 326.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 113052336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).