2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide

C16H25N3O4S — CID 113165281

IUPAC2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O4S/c1-4-18(5-2)16(21)12-19(13(3)20)11-10-14-6-8-15(9-7-14)24(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H2,17,22,23)
InChIKeyFQTDUAQLYXZJPT-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.59
Rot. Bonds8

About 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide

2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide (PubChem CID 113165281) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
PubChem CID113165281
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C16H25N3O4S/c1-4-18(5-2)16(21)12-19(13(3)20)11-10-14-6-8-15(9-7-14)24(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H2,17,22,23)
InChIKeyFQTDUAQLYXZJPT-UHFFFAOYSA-N
XLogP0.59
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide 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-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 113165276
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
CID 113164026
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934
2-chloro-N-(2-cyanoethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 82102631
8-(4-sulfamoylphenyl)octanamide
CID 67422603
4-nonylbenzenesulfonamide
CID 19845394
4-(4-sulfamoylphenyl)butanamide
CID 145476026

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide (CID 113165281) is 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide?
The InChIKey is FQTDUAQLYXZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-18(5-2)16(21)12-19(13(3)20)11-10-14-6-8-15(9-7-14)24(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H2,17,22,23).
What are the key properties of 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide?
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide has a molecular weight of 355.46 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 113165281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).