N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide

C14H17NO3S — CID 90577075

IUPACN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide
SMILESC=CCc1ccccc1OCC#CCNS(C)(=O)=O
InChIInChI=1S/C14H17NO3S/c1-3-8-13-9-4-5-10-14(13)18-12-7-6-11-15-19(2,16)17/h3-5,9-10,15H,1,8,11-12H2,2H3
InChIKeyITZBDOMAZUBDCS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.35
Rot. Bonds6

About N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide

N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide (PubChem CID 90577075) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide
PubChem CID90577075
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide
SMILESC=CCc1ccccc1OCC#CCNS(C)(=O)=O
InChIInChI=1S/C14H17NO3S/c1-3-8-13-9-4-5-10-14(13)18-12-7-6-11-15-19(2,16)17/h3-5,9-10,15H,1,8,11-12H2,2H3
InChIKeyITZBDOMAZUBDCS-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]thiophene-2-sulfonamide
CID 90577113
3,4-dimethyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90577097
methyl 3-[4-(2-prop-2-enylphenoxy)but-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90577142
4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
1-(2-fluorophenyl)-3-[4-(2-prop-2-enylphenoxy)but-2-ynyl]urea
CID 90577073
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
CID 90576829
2-iodo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576877
(E)-3-phenyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]prop-2-enamide
CID 90576899
4-(diethylsulfamoyl)-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576934
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576897
2-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131573
4-ethoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576857

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide?
The IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide (CID 90577075) is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide is C=CCc1ccccc1OCC#CCNS(C)(=O)=O.
What is the InChIKey of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide?
The InChIKey is ITZBDOMAZUBDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-8-13-9-4-5-10-14(13)18-12-7-6-11-15-19(2,16)17/h3-5,9-10,15H,1,8,11-12H2,2H3.
What are the key properties of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide?
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide is sourced from PubChem (CID 90577075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).