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

C25H32F2N2O5S — CID 68916748

IUPACtert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CCc2cc(NS(=O)(=O)c3ccc(OC(F)F)cc3)ccc2C1
InChIInChI=1S/C25H32F2N2O5S/c1-5-14-29(24(30)34-25(2,3)4)20-9-7-17-15-19(8-6-18(17)16-20)28-35(31,32)22-12-10-21(11-13-22)33-23(26)27/h6,8,10-13,15,20,23,28H,5,7,9,14,16H2,1-4H3
InChIKeyOAEHEHJWTIDQFM-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.59
Rot. Bonds8

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

tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate (PubChem CID 68916748) has the molecular formula C25H32F2N2O5S and a molecular weight of 510.60 g/mol. Its IUPAC name is tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
PubChem CID68916748
Molecular FormulaC25H32F2N2O5S
Molecular Weight510.60 g/mol
Exact Mass510.20
IUPAC Nametert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CCc2cc(NS(=O)(=O)c3ccc(OC(F)F)cc3)ccc2C1
InChIInChI=1S/C25H32F2N2O5S/c1-5-14-29(24(30)34-25(2,3)4)20-9-7-17-15-19(8-6-18(17)16-20)28-35(31,32)22-12-10-21(11-13-22)33-23(26)27/h6,8,10-13,15,20,23,28H,5,7,9,14,16H2,1-4H3
InChIKeyOAEHEHJWTIDQFM-UHFFFAOYSA-N
XLogP5.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[(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-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918954
tert-butyl N-[6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918960
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
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780
4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
CID 55702798
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 11596180

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate (CID 68916748) is tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)C1CCc2cc(NS(=O)(=O)c3ccc(OC(F)F)cc3)ccc2C1.
What is the InChIKey of tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
The InChIKey is OAEHEHJWTIDQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O5S/c1-5-14-29(24(30)34-25(2,3)4)20-9-7-17-15-19(8-6-18(17)16-20)28-35(31,32)22-12-10-21(11-13-22)33-23(26)27/h6,8,10-13,15,20,23,28H,5,7,9,14,16H2,1-4H3.
What are the key properties of tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate?
tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate has a molecular weight of 510.60 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate is sourced from PubChem (CID 68916748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).