N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide

C14H14N2O3S2 — CID 45147330

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C#N)cc1
InChIInChI=1S/C14H14N2O3S2/c1-9-10(2)20-14(13(9)8-15)16-21(17,18)12-6-4-11(19-3)5-7-12/h4-7,16H,1-3H3
InChIKeyPYGUWQWMFNWACR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.05
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 45147330) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide
PubChem CID45147330
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C#N)cc1
InChIInChI=1S/C14H14N2O3S2/c1-9-10(2)20-14(13(9)8-15)16-21(17,18)12-6-4-11(19-3)5-7-12/h4-7,16H,1-3H3
InChIKeyPYGUWQWMFNWACR-UHFFFAOYSA-N
XLogP3.05
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylbenzenesulfonamide
CID 61109836
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-fluorobenzenesulfonamide
CID 82845468
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831911
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide
CID 61052071
2-amino-4-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzenesulfonamide
CID 61110212
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984796
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide (CID 45147330) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is PYGUWQWMFNWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-10(2)20-14(13(9)8-15)16-21(17,18)12-6-4-11(19-3)5-7-12/h4-7,16H,1-3H3.
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 45147330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).