N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide

C17H29N3O4S — CID 19257901

IUPACN-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCCN(CC)CC)c1
InChIInChI=1S/C17H29N3O4S/c1-5-19-25(22,23)14-9-10-16(24-4)15(13-14)17(21)18-11-8-12-20(6-2)7-3/h9-10,13,19H,5-8,11-12H2,1-4H3,(H,18,21)
InChIKeyBJPVSICCCAJCAN-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.46
Rot. Bonds11

About N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide

N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide (PubChem CID 19257901) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
PubChem CID19257901
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCCN(CC)CC)c1
InChIInChI=1S/C17H29N3O4S/c1-5-19-25(22,23)14-9-10-16(24-4)15(13-14)17(21)18-11-8-12-20(6-2)7-3/h9-10,13,19H,5-8,11-12H2,1-4H3,(H,18,21)
InChIKeyBJPVSICCCAJCAN-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide 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

5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide (CID 19257901) is N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide is CCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCCN(CC)CC)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is BJPVSICCCAJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-5-19-25(22,23)14-9-10-16(24-4)15(13-14)17(21)18-11-8-12-20(6-2)7-3/h9-10,13,19H,5-8,11-12H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 371.50 g/mol, XLogP of 1.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 19257901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).