N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide

C19H16N2O3S2 — CID 2089335

IUPACN-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H16N2O3S2/c1-24-18-6-3-2-5-17(18)21(26(22,23)19-7-4-12-25-19)14-16-10-8-15(13-20)9-11-16/h2-12H,14H2,1H3
InChIKeyTXHWXBYYXNDLME-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.02
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide

N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 2089335) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID2089335
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H16N2O3S2/c1-24-18-6-3-2-5-17(18)21(26(22,23)19-7-4-12-25-19)14-16-10-8-15(13-20)9-11-16/h2-12H,14H2,1H3
InChIKeyTXHWXBYYXNDLME-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

N-[(4-cyanophenyl)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 26216114
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 86992259
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 17398452
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide (CID 2089335) is N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide is COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is TXHWXBYYXNDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-24-18-6-3-2-5-17(18)21(26(22,23)19-7-4-12-25-19)14-16-10-8-15(13-20)9-11-16/h2-12H,14H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide 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 N-[(4-cyanophenyl)methyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2089335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).