N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide

C20H21N3O4S — CID 1086888

IUPACN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C20H21N3O4S/c1-25-15-7-5-4-6-14(15)12-18(24)21-20-23-22-19(28-20)11-13-8-9-16(26-2)17(10-13)27-3/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyIKCKBJMUSGLXLU-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.34
Rot. Bonds8

About N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 1086888) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID1086888
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C20H21N3O4S/c1-25-15-7-5-4-6-14(15)12-18(24)21-20-23-22-19(28-20)11-13-8-9-16(26-2)17(10-13)27-3/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyIKCKBJMUSGLXLU-UHFFFAOYSA-N
XLogP3.34
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazole-2-yl]octanamide
CID 136239329
N-[5-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]octanamide
CID 136239331
N-[5-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]nonanamide
CID 136239461
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazole-2-yl] nonanamide
CID 136244478
N-[5-(4-hydroxy-3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 136246548
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 1091313
2-chloro-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1095334
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 646403
2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982534
2-(3-methoxyphenyl)-N-[5-[4-[5-[[2-(3-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89596863
2-(4-methoxyphenyl)-N-[5-[4-[5-[[2-(4-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639619

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide (CID 1086888) is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is IKCKBJMUSGLXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-25-15-7-5-4-6-14(15)12-18(24)21-20-23-22-19(28-20)11-13-8-9-16(26-2)17(10-13)27-3/h4-10H,11-12H2,1-3H3,(H,21,23,24).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide?
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1086888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).