N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide

C20H21NO4S — CID 90623489

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)OC)c1
InChIInChI=1S/C20H21NO4S/c1-24-18-9-5-8-17(12-18)20(25-2)14-21-26(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h3-13,20-21H,14H2,1-2H3
InChIKeyXZALQKKPBIAWGX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.51
Rot. Bonds7

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide (PubChem CID 90623489) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
PubChem CID90623489
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)OC)c1
InChIInChI=1S/C20H21NO4S/c1-24-18-9-5-8-17(12-18)20(25-2)14-21-26(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h3-13,20-21H,14H2,1-2H3
InChIKeyXZALQKKPBIAWGX-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 90623533
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide (CID 90623489) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is XZALQKKPBIAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-24-18-9-5-8-17(12-18)20(25-2)14-21-26(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h3-13,20-21H,14H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90623489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).