2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide

C10H15N3O3S — CID 55084090

IUPAC2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
SMILESNc1cccc(CC(=O)NCCS(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O3S/c11-9-3-1-2-8(6-9)7-10(14)13-4-5-17(12,15)16/h1-3,6H,4-5,7,11H2,(H,13,14)(H2,12,15,16)
InChIKeyORHVXHBVCPKSJU-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.78
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide

2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide (PubChem CID 55084090) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
PubChem CID55084090
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
SMILESNc1cccc(CC(=O)NCCS(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O3S/c11-9-3-1-2-8(6-9)7-10(14)13-4-5-17(12,15)16/h1-3,6H,4-5,7,11H2,(H,13,14)(H2,12,15,16)
InChIKeyORHVXHBVCPKSJU-UHFFFAOYSA-N
XLogP-0.78
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide (CID 55084090) is 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide is Nc1cccc(CC(=O)NCCS(N)(=O)=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide?
The InChIKey is ORHVXHBVCPKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-9-3-1-2-8(6-9)7-10(14)13-4-5-17(12,15)16/h1-3,6H,4-5,7,11H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide?
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide is sourced from PubChem (CID 55084090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).