1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide

C14H14N2O3S — CID 43397003

IUPAC1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O3S/c1-16(10-14-3-2-8-19-14)20(17,18)11-13-6-4-12(9-15)5-7-13/h2-8H,10-11H2,1H3
InChIKeyXMWVSGHNSDNHTN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide

1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide (PubChem CID 43397003) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
PubChem CID43397003
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O3S/c1-16(10-14-3-2-8-19-14)20(17,18)11-13-6-4-12(9-15)5-7-13/h2-8H,10-11H2,1H3
InChIKeyXMWVSGHNSDNHTN-UHFFFAOYSA-N
XLogP2.11
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
CID 43272243
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 55760728
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
1-bromo-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 83083709
1-chloro-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 63666179
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide (CID 43397003) is 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide is CN(Cc1ccco1)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The InChIKey is XMWVSGHNSDNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-16(10-14-3-2-8-19-14)20(17,18)11-13-6-4-12(9-15)5-7-13/h2-8H,10-11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 43397003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).