2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide

C17H21N3O5S — CID 113165276

IUPAC2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1ccco1
InChIInChI=1S/C17H21N3O5S/c1-13(21)20(12-17(22)19-11-15-3-2-10-25-15)9-8-14-4-6-16(7-5-14)26(18,23)24/h2-7,10H,8-9,11-12H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyJGMQQVZZHCSUNC-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.63
Rot. Bonds8

About 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 113165276) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID113165276
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1ccco1
InChIInChI=1S/C17H21N3O5S/c1-13(21)20(12-17(22)19-11-15-3-2-10-25-15)9-8-14-4-6-16(7-5-14)26(18,23)24/h2-7,10H,8-9,11-12H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyJGMQQVZZHCSUNC-UHFFFAOYSA-N
XLogP0.63
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)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

N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 113165276) is 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1ccco1.
What is the InChIKey of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JGMQQVZZHCSUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-13(21)20(12-17(22)19-11-15-3-2-10-25-15)9-8-14-4-6-16(7-5-14)26(18,23)24/h2-7,10H,8-9,11-12H2,1H3,(H,19,22)(H2,18,23,24).
What are the key properties of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113165276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).