N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide

C17H16N2O5S — CID 51119332

IUPACN-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H16N2O5S/c1-23-14-7-8-15(16(9-14)24-2)17(20)19-25(21,22)11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyBLRLYQLJVLEJOV-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.84
Rot. Bonds6

About N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide

N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide (PubChem CID 51119332) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide
PubChem CID51119332
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H16N2O5S/c1-23-14-7-8-15(16(9-14)24-2)17(20)19-25(21,22)11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyBLRLYQLJVLEJOV-UHFFFAOYSA-N
XLogP1.84
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
CID 18089225
2-[(2-amino-5-methoxyphenyl)sulfonylmethyl]benzonitrile
CID 81201156
5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
CID 75403549
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 8757159
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
2-(benzenesulfonylmethyl)-4-methoxybenzonitrile
CID 11808311
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184
(2-methoxyphenyl)methylsulfonylcarbamic acid
CID 141426793
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide (CID 51119332) is N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c(OC)c1.
What is the InChIKey of N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide?
The InChIKey is BLRLYQLJVLEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-23-14-7-8-15(16(9-14)24-2)17(20)19-25(21,22)11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide?
N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 51119332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).