N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C18H21N3O4S — CID 109002591

IUPACN-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)15-3-2-4-16(11-15)21-18(23)12-20-10-9-14-5-7-17(8-6-14)26(19,24)25/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyYNIJIUVAURCJDY-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.31
Rot. Bonds8

About N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 109002591) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID109002591
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)15-3-2-4-16(11-15)21-18(23)12-20-10-9-14-5-7-17(8-6-14)26(19,24)25/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyYNIJIUVAURCJDY-UHFFFAOYSA-N
XLogP1.31
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
N-(2-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]butanoic acid
CID 43473711
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108949699

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 109002591) is N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is CC(=O)c1cccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is YNIJIUVAURCJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)15-3-2-4-16(11-15)21-18(23)12-20-10-9-14-5-7-17(8-6-14)26(19,24)25/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 109002591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).