N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide

C17H30N4O3S — CID 119680561

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC
InChIInChI=1S/C17H30N4O3S/c1-5-19-15-11-10-14(25(23,24)21(6-2)7-3)13-16(15)20-17(22)9-8-12-18-4/h10-11,13,18-19H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyKCHKMVASOVSATP-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.09
Rot. Bonds11

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide (PubChem CID 119680561) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
PubChem CID119680561
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC
InChIInChI=1S/C17H30N4O3S/c1-5-19-15-11-10-14(25(23,24)21(6-2)7-3)13-16(15)20-17(22)9-8-12-18-4/h10-11,13,18-19H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyKCHKMVASOVSATP-UHFFFAOYSA-N
XLogP2.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide (CID 119680561) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide?
The InChIKey is KCHKMVASOVSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-5-19-15-11-10-14(25(23,24)21(6-2)7-3)13-16(15)20-17(22)9-8-12-18-4/h10-11,13,18-19H,5-9,12H2,1-4H3,(H,20,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide has a molecular weight of 370.52 g/mol, XLogP of 2.09, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119680561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).