N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide

C23H32N2O4S — CID 59547764

IUPACN-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(OC)cc1)C(N)CC2
InChIInChI=1S/C23H32N2O4S/c1-3-14-30(26,27)25-12-13-29-20-10-6-18-7-11-23(24)22(21(18)16-20)15-17-4-8-19(28-2)9-5-17/h4-6,8-10,16,22-23,25H,3,7,11-15,24H2,1-2H3
InChIKeyRQRVBVNZUOPMLY-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.00
Rot. Bonds10

About N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide

N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide (PubChem CID 59547764) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
PubChem CID59547764
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(OC)cc1)C(N)CC2
InChIInChI=1S/C23H32N2O4S/c1-3-14-30(26,27)25-12-13-29-20-10-6-18-7-11-23(24)22(21(18)16-20)15-17-4-8-19(28-2)9-5-17/h4-6,8-10,16,22-23,25H,3,7,11-15,24H2,1-2H3
InChIKeyRQRVBVNZUOPMLY-UHFFFAOYSA-N
XLogP3.00
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide (CID 59547764) is N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(OC)cc1)C(N)CC2.
What is the InChIKey of N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The InChIKey is RQRVBVNZUOPMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-3-14-30(26,27)25-12-13-29-20-10-6-18-7-11-23(24)22(21(18)16-20)15-17-4-8-19(28-2)9-5-17/h4-6,8-10,16,22-23,25H,3,7,11-15,24H2,1-2H3.
What are the key properties of N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide has a molecular weight of 432.59 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 59547764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).