N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide

C19H21NO4S — CID 166448711

IUPACN-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1CC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-4-13-24-18-8-6-5-7-16(18)14-19(21)20(3)25(22,23)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3
InChIKeyHXBVDEMRUQSYFY-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.95
Rot. Bonds7

About N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide

N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 166448711) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide
PubChem CID166448711
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1CC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-4-13-24-18-8-6-5-7-16(18)14-19(21)20(3)25(22,23)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3
InChIKeyHXBVDEMRUQSYFY-UHFFFAOYSA-N
XLogP2.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
(2-prop-2-enoxyphenyl)methanol
CID 11137475
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
CID 102356550
3-[methyl-[(2-prop-2-enoxyphenyl)methylcarbamoyl]amino]propanoic acid
CID 122001720
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[2-[[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[[2-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]methyl]amino]propyl]amino]methyl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 102068242

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide (CID 166448711) is N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1CC(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is HXBVDEMRUQSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-4-13-24-18-8-6-5-7-16(18)14-19(21)20(3)25(22,23)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide?
N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 166448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).