N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C18H22ClN3O3S — CID 109002577

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCc1cc(C)c(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3S/c1-12-9-13(2)18(16(19)10-12)22-17(23)11-21-8-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyWTWSWRVNYWVXPG-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.38
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 109002577) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID109002577
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCc1cc(C)c(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3S/c1-12-9-13(2)18(16(19)10-12)22-17(23)11-21-8-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyWTWSWRVNYWVXPG-UHFFFAOYSA-N
XLogP2.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.38
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-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-(2-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002591
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 109002577) is N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is Cc1cc(C)c(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is WTWSWRVNYWVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-12-9-13(2)18(16(19)10-12)22-17(23)11-21-8-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 109002577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).