2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide

C19H26N4O3S — CID 119682102

IUPAC2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C19H26N4O3S/c1-4-23(5-2)27(25,26)16-10-11-17(21-3)18(13-16)22-19(24)12-14-6-8-15(20)9-7-14/h6-11,13,21H,4-5,12,20H2,1-3H3,(H,22,24)
InChIKeyPXJONGZREBAFHH-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.52
Rot. Bonds8

About 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide

2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide (PubChem CID 119682102) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
PubChem CID119682102
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C19H26N4O3S/c1-4-23(5-2)27(25,26)16-10-11-17(21-3)18(13-16)22-19(24)12-14-6-8-15(20)9-7-14/h6-11,13,21H,4-5,12,20H2,1-3H3,(H,22,24)
InChIKeyPXJONGZREBAFHH-UHFFFAOYSA-N
XLogP2.52
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119682122
2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
CID 119267336
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 51933846
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide (CID 119682102) is 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The InChIKey is PXJONGZREBAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-23(5-2)27(25,26)16-10-11-17(21-3)18(13-16)22-19(24)12-14-6-8-15(20)9-7-14/h6-11,13,21H,4-5,12,20H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide is sourced from PubChem (CID 119682102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).