N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

C15H21N3O4S — CID 71934225

IUPACN-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCCC(C#N)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O4S/c1-5-6-12(10-16)17-15(19)11-7-8-13(22-4)14(9-11)23(20,21)18(2)3/h7-9,12H,5-6H2,1-4H3,(H,17,19)
InChIKeyHQUJNMFSFLIXFF-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.37
Rot. Bonds7

About N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 71934225) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID71934225
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCCC(C#N)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O4S/c1-5-6-12(10-16)17-15(19)11-7-8-13(22-4)14(9-11)23(20,21)18(2)3/h7-9,12H,5-6H2,1-4H3,(H,17,19)
InChIKeyHQUJNMFSFLIXFF-UHFFFAOYSA-N
XLogP1.37
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60603932
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
(E)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]hex-4-enoic acid
CID 120693885
N-(1-cyanobutyl)-2,6-dimethoxybenzamide
CID 61120301
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 71934225) is N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is CCCC(C#N)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is HQUJNMFSFLIXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-5-6-12(10-16)17-15(19)11-7-8-13(22-4)14(9-11)23(20,21)18(2)3/h7-9,12H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 339.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 71934225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).