2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide

C16H22N2O5S — CID 35017947

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O5S/c1-3-6-17-16(19)12-13-4-5-14(22-2)15(11-13)24(20,21)18-7-9-23-10-8-18/h3-5,11H,1,6-10,12H2,2H3,(H,17,19)
InChIKeyUYHXOSFPMPLOKA-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.56
Rot. Bonds7

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide (PubChem CID 35017947) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
PubChem CID35017947
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O5S/c1-3-6-17-16(19)12-13-4-5-14(22-2)15(11-13)24(20,21)18-7-9-23-10-8-18/h3-5,11H,1,6-10,12H2,2H3,(H,17,19)
InChIKeyUYHXOSFPMPLOKA-UHFFFAOYSA-N
XLogP0.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 34464156
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide (CID 35017947) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide?
The InChIKey is UYHXOSFPMPLOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-3-6-17-16(19)12-13-4-5-14(22-2)15(11-13)24(20,21)18-7-9-23-10-8-18/h3-5,11H,1,6-10,12H2,2H3,(H,17,19).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide has a molecular weight of 354.43 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 35017947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).