N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C23H27N3O5S — CID 1451737

IUPACN-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(N(CC(C)C)C(=O)COc3ccccc3)s2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5S/c1-15(2)13-26(20(27)14-31-17-9-7-6-8-10-17)23-25-24-22(32-23)16-11-18(28-3)21(30-5)19(12-16)29-4/h6-12,15H,13-14H2,1-5H3
InChIKeyFMPOBMILUXVMKK-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.30
Rot. Bonds10

About N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1451737) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1451737
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(N(CC(C)C)C(=O)COc3ccccc3)s2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5S/c1-15(2)13-26(20(27)14-31-17-9-7-6-8-10-17)23-25-24-22(32-23)16-11-18(28-3)21(30-5)19(12-16)29-4/h6-12,15H,13-14H2,1-5H3
InChIKeyFMPOBMILUXVMKK-UHFFFAOYSA-N
XLogP4.30
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylpropyl)-3-phenyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451731
2-methyl-N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1451728
N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1451738
3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1444947
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 3230670
4-phenyl-N-propyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3216733
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)-2-phenoxypropanamide
CID 25061408
3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
CID 3230656
N-butyl-3-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3212745
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095748
2-(4-chlorophenoxy)-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3230676
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1451737) is N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1cc(-c2nnc(N(CC(C)C)C(=O)COc3ccccc3)s2)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FMPOBMILUXVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-15(2)13-26(20(27)14-31-17-9-7-6-8-10-17)23-25-24-22(32-23)16-11-18(28-3)21(30-5)19(12-16)29-4/h6-12,15H,13-14H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 457.55 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).