(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide

C18H26N2O4S — CID 46704155

IUPAC(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide
SMILESC=CCC[C@@H](C(=O)N(C)OC)[C@H](C=C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O4S/c1-6-8-9-16(18(21)20(4)24-5)17(7-2)19-25(22,23)15-12-10-14(3)11-13-15/h6-7,10-13,16-17,19H,1-2,8-9H2,3-5H3/t16-,17+/m1/s1
InChIKeyQMRXEKFOZDYPIT-SJORKVTESA-N
MW366.48 g/mol
LogP2.43
Rot. Bonds10

About (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide

(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide (PubChem CID 46704155) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide.

Molecular Properties

Compound Name(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide
PubChem CID46704155
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide
SMILESC=CCC[C@@H](C(=O)N(C)OC)[C@H](C=C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O4S/c1-6-8-9-16(18(21)20(4)24-5)17(7-2)19-25(22,23)15-12-10-14(3)11-13-15/h6-7,10-13,16-17,19H,1-2,8-9H2,3-5H3/t16-,17+/m1/s1
InChIKeyQMRXEKFOZDYPIT-SJORKVTESA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-methoxy-N-methyl-2-[(1S)-1-[[(S)-(4-methylphenyl)sulfinyl]amino]prop-2-enyl]hept-6-enamide
CID 46704001
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
(2R,3R)-N-methoxy-N,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 102085269
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
CID 68854810
4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide
CID 100946178
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140
N-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 132561173
methyl 2-[(4-methylphenyl)sulfonylamino]-3-oxobutanoate
CID 102140734

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide?
The IUPAC name of (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide (CID 46704155) is (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide.
What is the SMILES notation for (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide?
The canonical SMILES for (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide is C=CCC[C@@H](C(=O)N(C)OC)[C@H](C=C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide?
The InChIKey is QMRXEKFOZDYPIT-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-6-8-9-16(18(21)20(4)24-5)17(7-2)19-25(22,23)15-12-10-14(3)11-13-15/h6-7,10-13,16-17,19H,1-2,8-9H2,3-5H3/t16-,17+/m1/s1.
What are the key properties of (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide?
(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide has a molecular weight of 366.48 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide is sourced from PubChem (CID 46704155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).