N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide

C16H27N3O3S — CID 46432829

IUPACN-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(CC)CC)cc1
InChIInChI=1S/C16H27N3O3S/c1-5-18-23(21,22)15-10-8-14(9-11-15)16(20)17-12-13(4)19(6-2)7-3/h8-11,13,18H,5-7,12H2,1-4H3,(H,17,20)
InChIKeyJXJJRIWJIFYLBP-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.44
Rot. Bonds9

About N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide

N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide (PubChem CID 46432829) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
PubChem CID46432829
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(CC)CC)cc1
InChIInChI=1S/C16H27N3O3S/c1-5-18-23(21,22)15-10-8-14(9-11-15)16(20)17-12-13(4)19(6-2)7-3/h8-11,13,18H,5-7,12H2,1-4H3,(H,17,20)
InChIKeyJXJJRIWJIFYLBP-UHFFFAOYSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 25478911
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide (CID 46432829) is N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(CC)CC)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is JXJJRIWJIFYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-18-23(21,22)15-10-8-14(9-11-15)16(20)17-12-13(4)19(6-2)7-3/h8-11,13,18H,5-7,12H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide?
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 341.48 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 46432829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).