N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide

C15H25N3O4S — CID 7618197

IUPACN-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O4S/c1-18(2)11-4-9-17-23(20,21)12-10-16-15(19)13-5-7-14(22-3)8-6-13/h5-8,17H,4,9-12H2,1-3H3,(H,16,19)
InChIKeyLZWPIBFSWPQCNJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.30
Rot. Bonds10

About N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide

N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide (PubChem CID 7618197) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
PubChem CID7618197
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O4S/c1-18(2)11-4-9-17-23(20,21)12-10-16-15(19)13-5-7-14(22-3)8-6-13/h5-8,17H,4,9-12H2,1-3H3,(H,16,19)
InChIKeyLZWPIBFSWPQCNJ-UHFFFAOYSA-N
XLogP0.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide (CID 7618197) is N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide?
The InChIKey is LZWPIBFSWPQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-18(2)11-4-9-17-23(20,21)12-10-16-15(19)13-5-7-14(22-3)8-6-13/h5-8,17H,4,9-12H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide?
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 7618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).