N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C23H30N2O3S — CID 57467309

IUPACN-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2
InChIInChI=1S/C23H30N2O3S/c1-3-13-29(27,28)24-16-19-9-10-20-11-12-23(25-17(2)26)22(21(20)15-19)14-18-7-5-4-6-8-18/h4-10,15,22-24H,3,11-14,16H2,1-2H3,(H,25,26)
InChIKeyYBTKODUWCCYOSM-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.29
Rot. Bonds8

About N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 57467309) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID57467309
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2
InChIInChI=1S/C23H30N2O3S/c1-3-13-29(27,28)24-16-19-9-10-20-11-12-23(25-17(2)26)22(21(20)15-19)14-18-7-5-4-6-8-18/h4-10,15,22-24H,3,11-14,16H2,1-2H3,(H,25,26)
InChIKeyYBTKODUWCCYOSM-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 57467309) is N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2.
What is the InChIKey of N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is YBTKODUWCCYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-13-29(27,28)24-16-19-9-10-20-11-12-23(25-17(2)26)22(21(20)15-19)14-18-7-5-4-6-8-18/h4-10,15,22-24H,3,11-14,16H2,1-2H3,(H,25,26).
What are the key properties of N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 414.57 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-7-[(propylsulfonylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 57467309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).