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

C24H31ClN2O2S — CID 57471359

IUPACN-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2S/c25-23-6-2-1-5-20(23)15-22-21-14-17(9-10-19(21)11-12-24(22)26)4-3-13-27-30(28,29)16-18-7-8-18/h1-2,5-6,9-10,14,18,22,24,27H,3-4,7-8,11-13,15-16,26H2
InChIKeyZVYNWTCATPYTNQ-UHFFFAOYSA-N
MW447.04 g/mol
LogP4.20
Rot. Bonds9

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

N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471359) has the molecular formula C24H31ClN2O2S and a molecular weight of 447.04 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471359
Molecular FormulaC24H31ClN2O2S
Molecular Weight447.04 g/mol
Exact Mass446.18
IUPAC NameN-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2S/c25-23-6-2-1-5-20(23)15-22-21-14-17(9-10-19(21)11-12-24(22)26)4-3-13-27-30(28,29)16-18-7-8-18/h1-2,5-6,9-10,14,18,22,24,27H,3-4,7-8,11-13,15-16,26H2
InChIKeyZVYNWTCATPYTNQ-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-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57471359) is N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1Cl.
What is the InChIKey of N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is ZVYNWTCATPYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2S/c25-23-6-2-1-5-20(23)15-22-21-14-17(9-10-19(21)11-12-24(22)26)4-3-13-27-30(28,29)16-18-7-8-18/h1-2,5-6,9-10,14,18,22,24,27H,3-4,7-8,11-13,15-16,26H2.
What are the key properties of N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[7-amino-8-[(2-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-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).