2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide

C11H17N3O3S — CID 119944537

IUPAC2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1N
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)14-8-7-13-11(15)9-5-3-4-6-10(9)12/h3-6,14H,2,7-8,12H2,1H3,(H,13,15)
InChIKeyNMGMWSHNFMMSIB-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide

2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide (PubChem CID 119944537) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
PubChem CID119944537
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1N
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)14-8-7-13-11(15)9-5-3-4-6-10(9)12/h3-6,14H,2,7-8,12H2,1H3,(H,13,15)
InChIKeyNMGMWSHNFMMSIB-UHFFFAOYSA-N
XLogP-0.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2-amino-N-(2-sulfamoylethyl)benzamide
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CID 54099396
N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
CID 166420577
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
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CID 61209537
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
CID 126821326
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
2-amino-N-[(E)-pent-3-enyl]benzamide
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2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide (CID 119944537) is 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide is CCS(=O)(=O)NCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The InChIKey is NMGMWSHNFMMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-18(16,17)14-8-7-13-11(15)9-5-3-4-6-10(9)12/h3-6,14H,2,7-8,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide?
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide has a molecular weight of 271.34 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 119944537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).