3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide

C16H24N2O4S — CID 113145047

IUPAC3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-5-11-17-16(19)10-12-18(23(4,20)21)14-6-8-15(9-7-14)22-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,17,19)
InChIKeyJVCBYHACEGNZLS-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.93
Rot. Bonds9

About 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide

3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide (PubChem CID 113145047) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
PubChem CID113145047
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-5-11-17-16(19)10-12-18(23(4,20)21)14-6-8-15(9-7-14)22-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,17,19)
InChIKeyJVCBYHACEGNZLS-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.93
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-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 133202046
2-[(4-propan-2-yloxyphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990609
N-(cyclohexen-1-ylmethyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501784
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
methyl 3-[methylsulfonyl-[3-oxo-3-(prop-2-enylamino)propyl]amino]benzoate
CID 113145588
N-[2-(3-methylphenoxy)ethyl]-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501876
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145877

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide (CID 113145047) is 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide?
The InChIKey is JVCBYHACEGNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-11-17-16(19)10-12-18(23(4,20)21)14-6-8-15(9-7-14)22-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,17,19).
What are the key properties of 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide?
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 113145047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).