N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H21NO3S2 — CID 97414483

IUPACN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccsc1
InChIInChI=1S/C17H21NO3S2/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/h6-10,12,17-18H,2-5,11H2,1H3/t17-/m0/s1
InChIKeyVDGKGTSEHZKDRP-KRWDZBQOSA-N
MW351.49 g/mol
LogP3.29
Rot. Bonds6

About N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 97414483) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID97414483
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccsc1
InChIInChI=1S/C17H21NO3S2/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/h6-10,12,17-18H,2-5,11H2,1H3/t17-/m0/s1
InChIKeyVDGKGTSEHZKDRP-KRWDZBQOSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 97427134
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65031254
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 97414483) is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccsc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VDGKGTSEHZKDRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3S2/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/h6-10,12,17-18H,2-5,11H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 97414483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).