N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide

C18H19N3O4S — CID 109063792

IUPACN-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H19N3O4S/c1-25-11-5-10-20-26(23,24)16-8-4-7-14(12-16)18(22)21-17-9-3-2-6-15(17)13-19/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,21,22)
InChIKeyHODKHYWEXSBIGB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.13
Rot. Bonds8

About N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide

N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109063792) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109063792
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H19N3O4S/c1-25-11-5-10-20-26(23,24)16-8-4-7-14(12-16)18(22)21-17-9-3-2-6-15(17)13-19/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,21,22)
InChIKeyHODKHYWEXSBIGB-UHFFFAOYSA-N
XLogP2.13
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.13
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-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064933
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide (CID 109063792) is N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is HODKHYWEXSBIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-11-5-10-20-26(23,24)16-8-4-7-14(12-16)18(22)21-17-9-3-2-6-15(17)13-19/h2-4,6-9,12,20H,5,10-11H2,1H3,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide?
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109063792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).