N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide

C35H37F3N4O7S — CID 10327498

IUPACN-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide
SMILESO=C(CCCn1c(COc2ccc3ccccc3c2)c(C(=O)N2CCOCC2)c2cc(NC(=O)C3CCCC3)ccc21)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C35H37F3N4O7S/c36-35(37,38)50(46,47)40-31(43)10-5-15-42-29-14-12-26(39-33(44)24-7-2-3-8-24)21-28(29)32(34(45)41-16-18-48-19-17-41)30(42)22-49-27-13-11-23-6-1-4-9-25(23)20-27/h1,4,6,9,11-14,20-21,24H,2-3,5,7-8,10,15-19,22H2,(H,39,44)(H,40,43)
InChIKeyWARLBQLHVRYWHC-UHFFFAOYSA-N
MW714.76 g/mol
LogP5.72
Rot. Bonds11

About N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide

N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide (PubChem CID 10327498) has the molecular formula C35H37F3N4O7S and a molecular weight of 714.76 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide
PubChem CID10327498
Molecular FormulaC35H37F3N4O7S
Molecular Weight714.76 g/mol
Exact Mass714.23
IUPAC NameN-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide
SMILESO=C(CCCn1c(COc2ccc3ccccc3c2)c(C(=O)N2CCOCC2)c2cc(NC(=O)C3CCCC3)ccc21)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C35H37F3N4O7S/c36-35(37,38)50(46,47)40-31(43)10-5-15-42-29-14-12-26(39-33(44)24-7-2-3-8-24)21-28(29)32(34(45)41-16-18-48-19-17-41)30(42)22-49-27-13-11-23-6-1-4-9-25(23)20-27/h1,4,6,9,11-14,20-21,24H,2-3,5,7-8,10,15-19,22H2,(H,39,44)(H,40,43)
InChIKeyWARLBQLHVRYWHC-UHFFFAOYSA-N
XLogP5.72
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.76
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide (CID 10327498) is N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide is O=C(CCCn1c(COc2ccc3ccccc3c2)c(C(=O)N2CCOCC2)c2cc(NC(=O)C3CCCC3)ccc21)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide?
The InChIKey is WARLBQLHVRYWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F3N4O7S/c36-35(37,38)50(46,47)40-31(43)10-5-15-42-29-14-12-26(39-33(44)24-7-2-3-8-24)21-28(29)32(34(45)41-16-18-48-19-17-41)30(42)22-49-27-13-11-23-6-1-4-9-25(23)20-27/h1,4,6,9,11-14,20-21,24H,2-3,5,7-8,10,15-19,22H2,(H,39,44)(H,40,43).
What are the key properties of N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide?
N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide has a molecular weight of 714.76 g/mol, XLogP of 5.72, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)-1-[4-oxo-4-(trifluoromethylsulfonylamino)butyl]indol-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 10327498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).