N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide

C23H28N4O3S — CID 112796419

IUPACN-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nnc(-c2cc3c(s2)CCCC3)o1
InChIInChI=1S/C23H28N4O3S/c1-3-12-27(14-21(28)24-17-9-5-6-10-18(17)29-2)15-22-25-26-23(30-22)20-13-16-8-4-7-11-19(16)31-20/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyARAJLYRBEHWPBL-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.54
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide

N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide (PubChem CID 112796419) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
PubChem CID112796419
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nnc(-c2cc3c(s2)CCCC3)o1
InChIInChI=1S/C23H28N4O3S/c1-3-12-27(14-21(28)24-17-9-5-6-10-18(17)29-2)15-22-25-26-23(30-22)20-13-16-8-4-7-11-19(16)31-20/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyARAJLYRBEHWPBL-UHFFFAOYSA-N
XLogP4.54
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112799683
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
methyl 3-[[2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24566610
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372262
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374987
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
methyl 2-methyl-5-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]furan-3-carboxylate
CID 112803345
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 24566612
N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 39965014
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide (CID 112796419) is N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide is CCCN(CC(=O)Nc1ccccc1OC)Cc1nnc(-c2cc3c(s2)CCCC3)o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The InChIKey is ARAJLYRBEHWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-12-27(14-21(28)24-17-9-5-6-10-18(17)29-2)15-22-25-26-23(30-22)20-13-16-8-4-7-11-19(16)31-20/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[propyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 112796419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).