N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide

C24H33ClN2O2S — CID 57471389

IUPACN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
InChIInChI=1S/C24H33ClN2O2S/c1-3-15-30(28,29)27(2)14-4-5-18-6-9-20-10-13-24(26)23(22(20)16-18)17-19-7-11-21(25)12-8-19/h6-9,11-12,16,23-24H,3-5,10,13-15,17,26H2,1-2H3
InChIKeyYRTNBAZNRCOKHW-UHFFFAOYSA-N
MW449.06 g/mol
LogP4.54
Rot. Bonds9

About N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide

N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide (PubChem CID 57471389) has the molecular formula C24H33ClN2O2S and a molecular weight of 449.06 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
PubChem CID57471389
Molecular FormulaC24H33ClN2O2S
Molecular Weight449.06 g/mol
Exact Mass448.20
IUPAC NameN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
InChIInChI=1S/C24H33ClN2O2S/c1-3-15-30(28,29)27(2)14-4-5-18-6-9-20-10-13-24(26)23(22(20)16-18)17-19-7-11-21(25)12-8-19/h6-9,11-12,16,23-24H,3-5,10,13-15,17,26H2,1-2H3
InChIKeyYRTNBAZNRCOKHW-UHFFFAOYSA-N
XLogP4.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.06
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide (CID 57471389) is N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2.
What is the InChIKey of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is YRTNBAZNRCOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O2S/c1-3-15-30(28,29)27(2)14-4-5-18-6-9-20-10-13-24(26)23(22(20)16-18)17-19-7-11-21(25)12-8-19/h6-9,11-12,16,23-24H,3-5,10,13-15,17,26H2,1-2H3.
What are the key properties of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 449.06 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 57471389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).