N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

C18H19NO3S — CID 24806524

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-4-13-19(14-16-7-9-17(22-3)10-8-16)23(20,21)18-11-5-15(2)6-12-18/h1,5-12H,13-14H2,2-3H3
InChIKeyLIQVJRCIADFSFO-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 24806524) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID24806524
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-4-13-19(14-16-7-9-17(22-3)10-8-16)23(20,21)18-11-5-15(2)6-12-18/h1,5-12H,13-14H2,2-3H3
InChIKeyLIQVJRCIADFSFO-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-[[2-[[cyanomethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl]-4-methylbenzenesulfonamide
CID 154653299
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036162
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794075
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 170552008
4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 42708132

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide (CID 24806524) is N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is LIQVJRCIADFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-4-13-19(14-16-7-9-17(22-3)10-8-16)23(20,21)18-11-5-15(2)6-12-18/h1,5-12H,13-14H2,2-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 24806524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).