3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C19H16N2O3S2 — CID 9301891

IUPAC3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C19H16N2O3S2/c1-24-17-9-7-16(8-10-17)21(14-18-5-3-11-25-18)26(22,23)19-6-2-4-15(12-19)13-20/h2-12H,14H2,1H3
InChIKeyAYMPQZVILHUOBB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.02
Rot. Bonds6

About 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9301891) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9301891
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C19H16N2O3S2/c1-24-17-9-7-16(8-10-17)21(14-18-5-3-11-25-18)26(22,23)19-6-2-4-15(12-19)13-20/h2-12H,14H2,1H3
InChIKeyAYMPQZVILHUOBB-UHFFFAOYSA-N
XLogP4.02
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9301888
4-[[4-methoxy-N-(thiophen-2-ylmethyl)anilino]methyl]benzonitrile
CID 51110960
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 18190644
[4-[[4-cyano-N-(thiophen-2-ylmethyl)anilino]methyl]phenyl] sulfamate
CID 23508472
[(1R)-1-cyanoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598645
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9301891) is 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AYMPQZVILHUOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-24-17-9-7-16(8-10-17)21(14-18-5-3-11-25-18)26(22,23)19-6-2-4-15(12-19)13-20/h2-12H,14H2,1H3.
What are the key properties of 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9301891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).