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

C24H31ClN2O2S — CID 57467313

IUPACN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O2S/c25-21-10-6-18(7-11-21)15-23-22-14-17(5-8-20(22)9-12-24(23)26)2-1-13-27-30(28,29)16-19-3-4-19/h5-8,10-11,14,19,23-24,27H,1-4,9,12-13,15-16,26H2
InChIKeyGTLOCDKNYFCLNI-UHFFFAOYSA-N
MW447.04 g/mol
LogP4.20
Rot. Bonds9

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

N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57467313) has the molecular formula C24H31ClN2O2S and a molecular weight of 447.04 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57467313
Molecular FormulaC24H31ClN2O2S
Molecular Weight447.04 g/mol
Exact Mass446.18
IUPAC NameN-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O2S/c25-21-10-6-18(7-11-21)15-23-22-14-17(5-8-20(22)9-12-24(23)26)2-1-13-27-30(28,29)16-19-3-4-19/h5-8,10-11,14,19,23-24,27H,1-4,9,12-13,15-16,26H2
InChIKeyGTLOCDKNYFCLNI-UHFFFAOYSA-N
XLogP4.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.04
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57467313) is N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is GTLOCDKNYFCLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2S/c25-21-10-6-18(7-11-21)15-23-22-14-17(5-8-20(22)9-12-24(23)26)2-1-13-27-30(28,29)16-19-3-4-19/h5-8,10-11,14,19,23-24,27H,1-4,9,12-13,15-16,26H2.
What are the key properties of N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 447.04 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 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]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57467313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).