N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide

C13H18N2O3S — CID 91692817

IUPACN-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-11(2)13(16)14-9-6-10-15-19(17,18)12-7-4-3-5-8-12/h3-5,7-8,15H,1,6,9-10H2,2H3,(H,14,16)
InChIKeyVSHWLOUCMHEOJR-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.05
Rot. Bonds7

About N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide

N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide (PubChem CID 91692817) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
PubChem CID91692817
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-11(2)13(16)14-9-6-10-15-19(17,18)12-7-4-3-5-8-12/h3-5,7-8,15H,1,6,9-10H2,2H3,(H,14,16)
InChIKeyVSHWLOUCMHEOJR-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
N-tridecylbenzenesulfonamide
CID 3514704
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
N-[5-(benzenesulfonamido)pentyl]-2-methylsulfanylacetamide;N-[5-(benzenesulfonamido)pentyl]propanamide
CID 143199126
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
CID 94779348

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide (CID 91692817) is N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide?
The InChIKey is VSHWLOUCMHEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-11(2)13(16)14-9-6-10-15-19(17,18)12-7-4-3-5-8-12/h3-5,7-8,15H,1,6,9-10H2,2H3,(H,14,16).
What are the key properties of N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide?
N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 91692817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).