4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide

C19H21NO5S — CID 90575722

IUPAC4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1C
InChIInChI=1S/C19H21NO5S/c1-15-14-16(10-11-17(15)23-2)26(21,22)20-12-6-7-13-25-19-9-5-4-8-18(19)24-3/h4-5,8-11,14,20H,12-13H2,1-3H3
InChIKeyMWFYOJJMADILDF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.37
Rot. Bonds7

About 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide

4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide (PubChem CID 90575722) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
PubChem CID90575722
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1C
InChIInChI=1S/C19H21NO5S/c1-15-14-16(10-11-17(15)23-2)26(21,22)20-12-6-7-13-25-19-9-5-4-8-18(19)24-3/h4-5,8-11,14,20H,12-13H2,1-3H3
InChIKeyMWFYOJJMADILDF-UHFFFAOYSA-N
XLogP2.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803327
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
3,4-dimethyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90577097
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90575732
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide (CID 90575722) is 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)cc1C.
What is the InChIKey of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide?
The InChIKey is MWFYOJJMADILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-15-14-16(10-11-17(15)23-2)26(21,22)20-12-6-7-13-25-19-9-5-4-8-18(19)24-3/h4-5,8-11,14,20H,12-13H2,1-3H3.
What are the key properties of 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide?
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 90575722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).