N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C24H27N3O5S — CID 16536600

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cc(-c2nnc(SC(C)C(=O)NC3CCCc4ccccc43)o2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O5S/c1-14(22(28)25-18-11-7-9-15-8-5-6-10-17(15)18)33-24-27-26-23(32-24)16-12-19(29-2)21(31-4)20(13-16)30-3/h5-6,8,10,12-14,18H,7,9,11H2,1-4H3,(H,25,28)
InChIKeyURPRCLUJUWJPEJ-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.44
Rot. Bonds8

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 16536600) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID16536600
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cc(-c2nnc(SC(C)C(=O)NC3CCCc4ccccc43)o2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O5S/c1-14(22(28)25-18-11-7-9-15-8-5-6-10-17(15)18)33-24-27-26-23(32-24)16-12-19(29-2)21(31-4)20(13-16)30-3/h5-6,8,10,12-14,18H,7,9,11H2,1-4H3,(H,25,28)
InChIKeyURPRCLUJUWJPEJ-UHFFFAOYSA-N
XLogP4.44
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2572670
(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7418156
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99949580
(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 135840746
(2R)-N-phenyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7458502
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CID 7857374
N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17430485
(2R)-N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 40579060
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29318003
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 2557479
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 16541085

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 16536600) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is COc1cc(-c2nnc(SC(C)C(=O)NC3CCCc4ccccc43)o2)cc(OC)c1OC.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is URPRCLUJUWJPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-14(22(28)25-18-11-7-9-15-8-5-6-10-17(15)18)33-24-27-26-23(32-24)16-12-19(29-2)21(31-4)20(13-16)30-3/h5-6,8,10,12-14,18H,7,9,11H2,1-4H3,(H,25,28).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 469.56 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 16536600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).