4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide

C19H26N4O3S — CID 119680565

IUPAC4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-21-17-12-11-16(27(25,26)23(5-2)6-3)13-18(17)22-19(24)14-7-9-15(20)10-8-14/h7-13,21H,4-6,20H2,1-3H3,(H,22,24)
InChIKeyBSQMCEOEOYBSNR-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.98
Rot. Bonds8

About 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide

4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (PubChem CID 119680565) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
PubChem CID119680565
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-21-17-12-11-16(27(25,26)23(5-2)6-3)13-18(17)22-19(24)14-7-9-15(20)10-8-14/h7-13,21H,4-6,20H2,1-3H3,(H,22,24)
InChIKeyBSQMCEOEOYBSNR-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
CID 24510878
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 119682102
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25332133

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (CID 119680565) is 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The InChIKey is BSQMCEOEOYBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-21-17-12-11-16(27(25,26)23(5-2)6-3)13-18(17)22-19(24)14-7-9-15(20)10-8-14/h7-13,21H,4-6,20H2,1-3H3,(H,22,24).
What are the key properties of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is sourced from PubChem (CID 119680565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).