N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C18H22ClN3O3S — CID 109002532

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-16-5-1-14(2-6-16)10-12-22-18(23)13-21-11-9-15-3-7-17(8-4-15)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25)
InChIKeyVOTYBEQAHOGXHL-UHFFFAOYSA-N
MW395.91 g/mol
LogP1.48
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 109002532) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID109002532
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-16-5-1-14(2-6-16)10-12-22-18(23)13-21-11-9-15-3-7-17(8-4-15)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25)
InChIKeyVOTYBEQAHOGXHL-UHFFFAOYSA-N
XLogP1.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 51.48
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-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110301247
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-(2-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
1-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 17460142

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 109002532) is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is NS(=O)(=O)c1ccc(CCNCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is VOTYBEQAHOGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-16-5-1-14(2-6-16)10-12-22-18(23)13-21-11-9-15-3-7-17(8-4-15)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 395.91 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 109002532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).