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

C24H31ClN2O2S — CID 57471459

IUPACN-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2
InChIKeySZVZDVDVQWZJRP-UHFFFAOYSA-N
MW447.04 g/mol
LogP4.20
Rot. Bonds9

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

N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471459) has the molecular formula C24H31ClN2O2S and a molecular weight of 447.04 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471459
Molecular FormulaC24H31ClN2O2S
Molecular Weight447.04 g/mol
Exact Mass446.18
IUPAC NameN-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2
InChIKeySZVZDVDVQWZJRP-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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Related Compounds

N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)cyclobutanesulfonamide
CID 46870540
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-1-cyclopropylmethanesulfonamide
CID 46870542
N-(3-(7-Amino-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl)propyl)-1-cyclopropylmethanesulfonamide
CID 57467313
N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467315
N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
CID 57467317
N-[3-[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467319
N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467330
N-[3-[8-[(4-chlorophenyl)methyl]-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467345
1-[(3-Chlorophenyl)methyl]-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467380
N-[[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57471310
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)propane-1-sulfonamide
CID 57471314
N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 57471332

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57471459) is N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1.
What is the InChIKey of N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is SZVZDVDVQWZJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2.
What are the key properties of N-[3-[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[7-amino-8-[(3-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-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).