1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide

C18H20N2O3S — CID 87032785

IUPAC1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
SMILESCCCOc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-10-23-18-8-6-15(7-9-18)13-20-24(21,22)14-17-5-3-4-16(11-17)12-19/h3-9,11,20H,2,10,13-14H2,1H3
InChIKeyWOTACCVKUMXKAV-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.97
Rot. Bonds8

About 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide

1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide (PubChem CID 87032785) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
PubChem CID87032785
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
SMILESCCCOc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-10-23-18-8-6-15(7-9-18)13-20-24(21,22)14-17-5-3-4-16(11-17)12-19/h3-9,11,20H,2,10,13-14H2,1H3
InChIKeyWOTACCVKUMXKAV-UHFFFAOYSA-N
XLogP2.97
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811
4-[[(3-propoxyphenyl)methylamino]methyl]benzonitrile
CID 60957812
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
CID 78862275
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
3-[(3-amino-5-propoxyanilino)methyl]benzonitrile
CID 80739121
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
methyl N-[(3-cyanophenyl)methylsulfamoyl]carbamate
CID 113344019
3-[2-(3-methylphenoxy)ethylsulfonylmethyl]benzonitrile
CID 94805069

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide (CID 87032785) is 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide is CCCOc1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide?
The InChIKey is WOTACCVKUMXKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-10-23-18-8-6-15(7-9-18)13-20-24(21,22)14-17-5-3-4-16(11-17)12-19/h3-9,11,20H,2,10,13-14H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 87032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).