N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide

C11H16N2O3S2 — CID 108573441

IUPACN-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C11H16N2O3S2/c1-2-18(15,16)13-8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,13,17H,2,7-8H2,1H3,(H,12,14)
InChIKeyVREXBBIODWJMCS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.64
Rot. Bonds6

About N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide

N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide (PubChem CID 108573441) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
PubChem CID108573441
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C11H16N2O3S2/c1-2-18(15,16)13-8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,13,17H,2,7-8H2,1H3,(H,12,14)
InChIKeyVREXBBIODWJMCS-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
CID 166420577
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
CID 126821326
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
3,4,5-trihydroxy-N-[2-[(2-sulfanylbenzoyl)amino]ethyl]benzamide
CID 108540134
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide (CID 108573441) is N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide is CCS(=O)(=O)NCCNC(=O)c1ccccc1S.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide?
The InChIKey is VREXBBIODWJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-2-18(15,16)13-8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,13,17H,2,7-8H2,1H3,(H,12,14).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide?
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 0.64, 6 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-sulfanylbenzamide is sourced from PubChem (CID 108573441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).