tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate

C27H37FN2O4S — CID 68918954

IUPACtert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(CCCF)cc3)ccc2C1
InChIInChI=1S/C27H37FN2O4S/c1-5-17-30(26(31)34-27(2,3)4)24-13-11-21-18-23(12-10-22(21)19-24)29-35(32,33)25-14-8-20(9-15-25)7-6-16-28/h8-10,12,14-15,18,24,29H,5-7,11,13,16-17,19H2,1-4H3/t24-/m1/s1
InChIKeyZLBXPKAGYAEJGM-XMMPIXPASA-N
MW504.67 g/mol
LogP5.89
Rot. Bonds9

About tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate

tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate (PubChem CID 68918954) has the molecular formula C27H37FN2O4S and a molecular weight of 504.67 g/mol. Its IUPAC name is tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
PubChem CID68918954
Molecular FormulaC27H37FN2O4S
Molecular Weight504.67 g/mol
Exact Mass504.25
IUPAC Nametert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(CCCF)cc3)ccc2C1
InChIInChI=1S/C27H37FN2O4S/c1-5-17-30(26(31)34-27(2,3)4)24-13-11-21-18-23(12-10-22(21)19-24)29-35(32,33)25-14-8-20(9-15-25)7-6-16-28/h8-10,12,14-15,18,24,29H,5-7,11,13,16-17,19H2,1-4H3/t24-/m1/s1
InChIKeyZLBXPKAGYAEJGM-XMMPIXPASA-N
XLogP5.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate with MolForge

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Related Compounds

tert-butyl N-[6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918960
tert-butyl N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68914714
tert-butyl N-[(2R)-6-[[4-(1,1-difluoropropan-2-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68916802
tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68916748
tert-butyl N-[6-[[4-(3-fluoropyrrolidin-1-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68915131
[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 142689469
tert-butyl N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylcarbamate
CID 68911943
tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
CID 55702798
N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 131732535
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate (CID 68918954) is tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(CCCF)cc3)ccc2C1.
What is the InChIKey of tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The InChIKey is ZLBXPKAGYAEJGM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H37FN2O4S/c1-5-17-30(26(31)34-27(2,3)4)24-13-11-21-18-23(12-10-22(21)19-24)29-35(32,33)25-14-8-20(9-15-25)7-6-16-28/h8-10,12,14-15,18,24,29H,5-7,11,13,16-17,19H2,1-4H3/t24-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate has a molecular weight of 504.67 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate is sourced from PubChem (CID 68918954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).