N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C20H21N3O3S — CID 4852522

IUPACN-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-14-20(24)23-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,22H,12-14H2,(H,23,24)(H2,21,25,26)
InChIKeyVHFAFEQDDNKFMJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.26
Rot. Bonds7

About N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 4852522) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID4852522
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-14-20(24)23-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,22H,12-14H2,(H,23,24)(H2,21,25,26)
InChIKeyVHFAFEQDDNKFMJ-UHFFFAOYSA-N
XLogP2.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.26
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-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569
N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002591
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 4852522) is N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is NS(=O)(=O)c1ccc(CCNCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is VHFAFEQDDNKFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-14-20(24)23-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,22H,12-14H2,(H,23,24)(H2,21,25,26).
What are the key properties of N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 4852522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).