N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide

C17H17NO3S2 — CID 90584057

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccsc1
InChIInChI=1S/C17H17NO3S2/c1-21-17(15-8-9-22-12-15)11-18-23(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-10,12,17-18H,11H2,1H3
InChIKeyGJJOHVPWYGIKKB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.57
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide

N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide (PubChem CID 90584057) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
PubChem CID90584057
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccsc1
InChIInChI=1S/C17H17NO3S2/c1-21-17(15-8-9-22-12-15)11-18-23(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-10,12,17-18H,11H2,1H3
InChIKeyGJJOHVPWYGIKKB-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide (CID 90584057) is N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide is COC(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide?
The InChIKey is GJJOHVPWYGIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-21-17(15-8-9-22-12-15)11-18-23(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-10,12,17-18H,11H2,1H3.
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide?
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 90584057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).