N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide

C19H20N2O3S — CID 10861207

IUPACN-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(/C=C(\C#N)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-15-4-10-19(11-5-15)25(22,23)21(2)14-17(13-20)12-16-6-8-18(24-3)9-7-16/h4-12H,14H2,1-3H3/b17-12+
InChIKeyMFGJCVSWHZGSTP-SFQUDFHCSA-N
MW356.45 g/mol
LogP3.23
Rot. Bonds6

About N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide

N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 10861207) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide
PubChem CID10861207
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(/C=C(\C#N)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-15-4-10-19(11-5-15)25(22,23)21(2)14-17(13-20)12-16-6-8-18(24-3)9-7-16/h4-12H,14H2,1-3H3/b17-12+
InChIKeyMFGJCVSWHZGSTP-SFQUDFHCSA-N
XLogP3.23
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 24636720
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28955234
N-(cyanomethyl)-N-[[2-[[cyanomethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl]-4-methylbenzenesulfonamide
CID 154653299
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
(E)-2-(dimethylamino)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 11816521
(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19212449
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561
3-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 4797171

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide (CID 10861207) is N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide is COc1ccc(/C=C(\C#N)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is MFGJCVSWHZGSTP-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-15-4-10-19(11-5-15)25(22,23)21(2)14-17(13-20)12-16-6-8-18(24-3)9-7-16/h4-12H,14H2,1-3H3/b17-12+.
What are the key properties of N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide?
N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 10861207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).