N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide

C20H21NO4S — CID 4885068

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C20H21NO4S/c1-21(14-17-8-10-18(24-2)13-20(17)25-3)26(22,23)19-11-9-15-6-4-5-7-16(15)12-19/h4-13H,14H2,1-3H3
InChIKeyUIVYXMQZIFKVJC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.68
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 4885068) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID4885068
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C20H21NO4S/c1-21(14-17-8-10-18(24-2)13-20(17)25-3)26(22,23)19-11-9-15-6-4-5-7-16(15)12-19/h4-13H,14H2,1-3H3
InChIKeyUIVYXMQZIFKVJC-UHFFFAOYSA-N
XLogP3.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 30328089
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
1-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 26541895
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide
CID 8797806
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-5-nitrobenzenesulfonamide
CID 175573139
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 22771442
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 4885068) is N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is UIVYXMQZIFKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-21(14-17-8-10-18(24-2)13-20(17)25-3)26(22,23)19-11-9-15-6-4-5-7-16(15)12-19/h4-13H,14H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 4885068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).