4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide

C23H21NO2S — CID 102032373

IUPAC4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC#Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO2S/c1-3-17-24(27(25,26)22-15-13-19(2)14-16-22)18-7-11-21-10-6-9-20-8-4-5-12-23(20)21/h3-6,8-10,12-16H,1,17-18H2,2H3
InChIKeyPKTIBXGZXDPOBV-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide

4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 102032373) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID102032373
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC#Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO2S/c1-3-17-24(27(25,26)22-15-13-19(2)14-16-22)18-7-11-21-10-6-9-20-8-4-5-12-23(20)21/h3-6,8-10,12-16H,1,17-18H2,2H3
InChIKeyPKTIBXGZXDPOBV-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
N-[3-(2-formylcyclopenten-1-yl)prop-2-ynyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 102106182
N-but-3-enyl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135077522
methyl 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]but-2-ynoate
CID 101353324
N-[3-(2-ethynylphenyl)prop-2-ynyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 44517972
4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide
CID 11337825
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
N-[3-(1-benzylindol-3-yl)prop-2-ynyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 102334571
N-[2-(benzenesulfonyl)buta-2,3-dienyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11003970
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide (CID 102032373) is 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(CC#Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PKTIBXGZXDPOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-3-17-24(27(25,26)22-15-13-19(2)14-16-22)18-7-11-21-10-6-9-20-8-4-5-12-23(20)21/h3-6,8-10,12-16H,1,17-18H2,2H3.
What are the key properties of 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 102032373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).