(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide

C20H21NO4S — CID 90575760

IUPAC(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H21NO4S/c1-17-9-11-18(12-10-17)13-16-26(22,23)21-14-5-6-15-25-20-8-4-3-7-19(20)24-2/h3-4,7-13,16,21H,14-15H2,1-2H3/b16-13+
InChIKeyYLHKSKRYHXNQIM-DTQAZKPQSA-N
MW371.46 g/mol
LogP2.98
Rot. Bonds7

About (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 90575760) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID90575760
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H21NO4S/c1-17-9-11-18(12-10-17)13-16-26(22,23)21-14-5-6-15-25-20-8-4-3-7-19(20)24-2/h3-4,7-13,16,21H,14-15H2,1-2H3/b16-13+
InChIKeyYLHKSKRYHXNQIM-DTQAZKPQSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
CID 90579978
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
(E)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90553146
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722
N-[3-[4-[[(E)-2-phenylethenyl]sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577523
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide (CID 90575760) is (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide is COc1ccccc1OCC#CCNS(=O)(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is YLHKSKRYHXNQIM-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-17-9-11-18(12-10-17)13-16-26(22,23)21-14-5-6-15-25-20-8-4-3-7-19(20)24-2/h3-4,7-13,16,21H,14-15H2,1-2H3/b16-13+.
What are the key properties of (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 90575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).