N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide

C17H33NO3S — CID 138622924

IUPACN-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)(CCC)CCCCCCC
InChIInChI=1S/C17H33NO3S/c1-5-8-9-10-11-13-17(4,12-6-2)22(20,21)15-14-18-16(19)7-3/h7H,3,5-6,8-15H2,1-2,4H3,(H,18,19)
InChIKeyZZMNMMCUARSBQB-UHFFFAOYSA-N
MW331.52 g/mol
LogP3.62
Rot. Bonds13

About N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide

N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide (PubChem CID 138622924) has the molecular formula C17H33NO3S and a molecular weight of 331.52 g/mol. Its IUPAC name is N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
PubChem CID138622924
Molecular FormulaC17H33NO3S
Molecular Weight331.52 g/mol
Exact Mass331.22
IUPAC NameN-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)(CCC)CCCCCCC
InChIInChI=1S/C17H33NO3S/c1-5-8-9-10-11-13-17(4,12-6-2)22(20,21)15-14-18-16(19)7-3/h7H,3,5-6,8-15H2,1-2,4H3,(H,18,19)
InChIKeyZZMNMMCUARSBQB-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide
CID 123332492
N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-(2-butyl-2-methyloctyl)prop-2-enamide
CID 130271966
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
ethyl 2-(prop-2-enoylamino)hexadecane-2-sulfonate
CID 174751414
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide (CID 138622924) is N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide is C=CC(=O)NCCS(=O)(=O)C(C)(CCC)CCCCCCC.
What is the InChIKey of N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide?
The InChIKey is ZZMNMMCUARSBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3S/c1-5-8-9-10-11-13-17(4,12-6-2)22(20,21)15-14-18-16(19)7-3/h7H,3,5-6,8-15H2,1-2,4H3,(H,18,19).
What are the key properties of N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide?
N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide has a molecular weight of 331.52 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide is sourced from PubChem (CID 138622924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).