3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H16N2O3S2 — CID 171134147

IUPAC3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C#N
InChIInChI=1S/C15H16N2O3S2/c1-3-20-15-7-6-14(9-12(15)10-16)22(18,19)17(2)11-13-5-4-8-21-13/h4-9H,3,11H2,1-2H3
InChIKeyMSOPXMDSVNQUTO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.84
Rot. Bonds6

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

3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 171134147) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID171134147
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C#N
InChIInChI=1S/C15H16N2O3S2/c1-3-20-15-7-6-14(9-12(15)10-16)22(18,19)17(2)11-13-5-4-8-21-13/h4-9H,3,11H2,1-2H3
InChIKeyMSOPXMDSVNQUTO-UHFFFAOYSA-N
XLogP2.84
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
5-nitro-2-(thiophen-2-ylmethoxy)benzonitrile
CID 113324298
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
2-methoxy-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 106788108
3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
CID 171138583
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 171134147) is 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C#N.
What is the InChIKey of 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MSOPXMDSVNQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-3-20-15-7-6-14(9-12(15)10-16)22(18,19)17(2)11-13-5-4-8-21-13/h4-9H,3,11H2,1-2H3.
What are the key properties of 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 171134147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).