N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C20H27N3O3S — CID 109002567

IUPACN-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)16-6-8-17(9-7-16)23-19(24)14-22-13-12-15-4-10-18(11-5-15)27(21,25)26/h4-11,22H,12-14H2,1-3H3,(H,23,24)(H2,21,25,26)
InChIKeyRCAMUDKHOANFIO-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.40
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 109002567) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID109002567
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)16-6-8-17(9-7-16)23-19(24)14-22-13-12-15-4-10-18(11-5-15)27(21,25)26/h4-11,22H,12-14H2,1-3H3,(H,23,24)(H2,21,25,26)
InChIKeyRCAMUDKHOANFIO-UHFFFAOYSA-N
XLogP2.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.40
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-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002591
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
N-(2-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N-(4-fluorophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066843
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 109002567) is N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is CC(C)(C)c1ccc(NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is RCAMUDKHOANFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-20(2,3)16-6-8-17(9-7-16)23-19(24)14-22-13-12-15-4-10-18(11-5-15)27(21,25)26/h4-11,22H,12-14H2,1-3H3,(H,23,24)(H2,21,25,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 109002567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).