N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C13H19N3O3S — CID 2560197

IUPACN-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-5-1-10(2-6-12)7-8-15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)(H2,14,18,19)
InChIKeyPUTKRLRZDLBBIJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.26
Rot. Bonds7

About N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 2560197) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID2560197
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-5-1-10(2-6-12)7-8-15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)(H2,14,18,19)
InChIKeyPUTKRLRZDLBBIJ-UHFFFAOYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
N~1~-butyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2236744
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(cyanomethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156009494
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 168274001
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]pentan-2-yl]carbamate
CID 168289508
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 2560197) is N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is NS(=O)(=O)c1ccc(CCNCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is PUTKRLRZDLBBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-20(18,19)12-5-1-10(2-6-12)7-8-15-9-13(17)16-11-3-4-11/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 297.38 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 2560197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).