N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide

C20H18N2O3S2 — CID 67282710

IUPACN-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)sc1C
InChIInChI=1S/C20H18N2O3S2/c1-13-4-7-17(16-8-5-15(12-21)6-9-16)10-18(13)22-27(23,24)20-11-19(25-3)14(2)26-20/h4-11,22H,1-3H3
InChIKeyDECZOXFIYUNFST-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.71
Rot. Bonds5

About N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide

N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide (PubChem CID 67282710) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide
PubChem CID67282710
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)sc1C
InChIInChI=1S/C20H18N2O3S2/c1-13-4-7-17(16-8-5-15(12-21)6-9-16)10-18(13)22-27(23,24)20-11-19(25-3)14(2)26-20/h4-11,22H,1-3H3
InChIKeyDECZOXFIYUNFST-UHFFFAOYSA-N
XLogP4.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide
CID 67284172
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167476347
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
5-(4-cyanophenyl)-2-methoxybenzenesulfonyl chloride
CID 54293820
5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 71970973
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide (CID 67282710) is N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide is COc1cc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)sc1C.
What is the InChIKey of N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide?
The InChIKey is DECZOXFIYUNFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-13-4-7-17(16-8-5-15(12-21)6-9-16)10-18(13)22-27(23,24)20-11-19(25-3)14(2)26-20/h4-11,22H,1-3H3.
What are the key properties of N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide?
N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 67282710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).