N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide

C14H19N3O4S — CID 166420577

IUPACN-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C14H19N3O4S/c1-3-13(18)17-12-8-6-5-7-11(12)14(19)15-9-10-16-22(20,21)4-2/h3,5-8,16H,1,4,9-10H2,2H3,(H,15,19)(H,17,18)
InChIKeyCQIBZQSOCUEZTE-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.48
Rot. Bonds8

About N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide

N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide (PubChem CID 166420577) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
PubChem CID166420577
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C14H19N3O4S/c1-3-13(18)17-12-8-6-5-7-11(12)14(19)15-9-10-16-22(20,21)4-2/h3,5-8,16H,1,4,9-10H2,2H3,(H,15,19)(H,17,18)
InChIKeyCQIBZQSOCUEZTE-UHFFFAOYSA-N
XLogP0.48
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
N-[3-(2,4-dioxopyrimidin-1-yl)propyl]-2-(prop-2-enoylamino)benzamide
CID 166420601
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
CID 126821326
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
CID 167846587
ethyl (E)-4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]but-2-enoate
CID 6233858

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide (CID 166420577) is N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)NCCNS(=O)(=O)CC.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is CQIBZQSOCUEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-3-13(18)17-12-8-6-5-7-11(12)14(19)15-9-10-16-22(20,21)4-2/h3,5-8,16H,1,4,9-10H2,2H3,(H,15,19)(H,17,18).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide?
N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 325.39 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166420577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).