N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide

C21H25NO3S — CID 101492731

IUPACN-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
SMILESC=Cc1ccc(OC)cc1N(C(C)/C=C/C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-6-8-17(4)22(21-15-19(25-5)12-11-18(21)7-2)26(23,24)20-13-9-16(3)10-14-20/h6-15,17H,2H2,1,3-5H3/b8-6+
InChIKeyZXMJKZQFCAJWNO-SOFGYWHQSA-N
MW371.50 g/mol
LogP4.81
Rot. Bonds7

About N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide

N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide (PubChem CID 101492731) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
PubChem CID101492731
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
SMILESC=Cc1ccc(OC)cc1N(C(C)/C=C/C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-6-8-17(4)22(21-15-19(25-5)12-11-18(21)7-2)26(23,24)20-13-9-16(3)10-14-20/h6-15,17H,2H2,1,3-5H3/b8-6+
InChIKeyZXMJKZQFCAJWNO-SOFGYWHQSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 10319439
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219066

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The IUPAC name of N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide (CID 101492731) is N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The canonical SMILES for N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide is C=Cc1ccc(OC)cc1N(C(C)/C=C/C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The InChIKey is ZXMJKZQFCAJWNO-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-6-8-17(4)22(21-15-19(25-5)12-11-18(21)7-2)26(23,24)20-13-9-16(3)10-14-20/h6-15,17H,2H2,1,3-5H3/b8-6+.
What are the key properties of N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-methoxyphenyl)-4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 101492731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).