N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide

C32H39N5O5S — CID 155063167

IUPACN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide
SMILESO=C(C1CCS(=O)(=O)CC1)N(CC1CCC2(c3nc(C4CC4)no3)CCCC1C2)c1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C32H39N5O5S/c38-30(22-11-15-43(39,40)16-12-22)37(26-5-1-3-23(17-26)29-33-27(35-41-29)20-6-7-20)19-25-10-14-32(13-2-4-24(25)18-32)31-34-28(36-42-31)21-8-9-21/h1,3,5,17,20-22,24-25H,2,4,6-16,18-19H2
InChIKeyWUOKNAYNQWYBAN-UHFFFAOYSA-N
MW605.76 g/mol
LogP5.57
Rot. Bonds8

About N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide (PubChem CID 155063167) has the molecular formula C32H39N5O5S and a molecular weight of 605.76 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide
PubChem CID155063167
Molecular FormulaC32H39N5O5S
Molecular Weight605.76 g/mol
Exact Mass605.27
IUPAC NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide
SMILESO=C(C1CCS(=O)(=O)CC1)N(CC1CCC2(c3nc(C4CC4)no3)CCCC1C2)c1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C32H39N5O5S/c38-30(22-11-15-43(39,40)16-12-22)37(26-5-1-3-23(17-26)29-33-27(35-41-29)20-6-7-20)19-25-10-14-32(13-2-4-24(25)18-32)31-34-28(36-42-31)21-8-9-21/h1,3,5,17,20-22,24-25H,2,4,6-16,18-19H2
InChIKeyWUOKNAYNQWYBAN-UHFFFAOYSA-N
XLogP5.57
TPSA132.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.76
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide with MolForge

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Related Compounds

1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]anilino]methyl]cyclohexane-1-carbaldehyde
CID 155063158
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
CID 154683657
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide
CID 167077894
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-dimethylpiperidine-1-carboxamide
CID 154683591
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide
CID 155060577
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]cyclobutane-1-carboxamide
CID 154683003
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-methoxy-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide
CID 154683824
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474151
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide
CID 167077753
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-[ethoxy(hydroxy)methyl]-1,3-thiazol-4-yl]phenyl]cyclohexanecarboxamide
CID 154683575
N-[3-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorocyclobut-2-ene-1-carboxamide
CID 166976709
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 155060741

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide (CID 155063167) is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide is O=C(C1CCS(=O)(=O)CC1)N(CC1CCC2(c3nc(C4CC4)no3)CCCC1C2)c1cccc(-c2nc(C3CC3)no2)c1.
What is the InChIKey of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide?
The InChIKey is WUOKNAYNQWYBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5S/c38-30(22-11-15-43(39,40)16-12-22)37(26-5-1-3-23(17-26)29-33-27(35-41-29)20-6-7-20)19-25-10-14-32(13-2-4-24(25)18-32)31-34-28(36-42-31)21-8-9-21/h1,3,5,17,20-22,24-25H,2,4,6-16,18-19H2.
What are the key properties of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide?
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide has a molecular weight of 605.76 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-bicyclo[3.3.1]nonanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 155063167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).