4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide

C19H31N3O3S — CID 43064828

IUPAC4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)N1CCCC1
InChIInChI=1S/C19H31N3O3S/c1-4-17(21-13-7-8-14-21)15-20-19(23)16-9-11-18(12-10-16)26(24,25)22(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyUQRSHWWVUCBAQD-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.32
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide

4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 43064828) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
PubChem CID43064828
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)N1CCCC1
InChIInChI=1S/C19H31N3O3S/c1-4-17(21-13-7-8-14-21)15-20-19(23)16-9-11-18(12-10-16)26(24,25)22(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyUQRSHWWVUCBAQD-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064921
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
CID 110827935
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 43064866
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide (CID 43064828) is 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide is CCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)N1CCCC1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The InChIKey is UQRSHWWVUCBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-17(21-13-7-8-14-21)15-20-19(23)16-9-11-18(12-10-16)26(24,25)22(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide?
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide has a molecular weight of 381.54 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide is sourced from PubChem (CID 43064828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).