2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide

C16H24N2O3S — CID 72685990

IUPAC2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C
InChIInChI=1S/C16H24N2O3S/c1-5-8-12(3)16(19)17-14-9-7-10-15(13(14)4)18-22(20,21)11-6-2/h7-10,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyRPYVXEKWFVEKMY-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.44
Rot. Bonds7

About 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide

2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide (PubChem CID 72685990) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
PubChem CID72685990
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C
InChIInChI=1S/C16H24N2O3S/c1-5-8-12(3)16(19)17-14-9-7-10-15(13(14)4)18-22(20,21)11-6-2/h7-10,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyRPYVXEKWFVEKMY-UHFFFAOYSA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide
CID 94151525
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
CID 48541505
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
CID 119301618
N-[2-methyl-3-(propylsulfonylamino)phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 76870802
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide (CID 72685990) is 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide is CCC=C(C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C.
What is the InChIKey of 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide?
The InChIKey is RPYVXEKWFVEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-8-12(3)16(19)17-14-9-7-10-15(13(14)4)18-22(20,21)11-6-2/h7-10,18H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide?
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide has a molecular weight of 324.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide is sourced from PubChem (CID 72685990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).