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

C18H23N3O2S — CID 138034178

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2nnc(C)s2)CCCC1
InChIInChI=1S/C18H23N3O2S/c1-13-20-21-17(24-13)11-16(22)19-12-18(9-5-6-10-18)14-7-3-4-8-15(14)23-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyJKEDIBZDENBOOY-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.03
Rot. Bonds6

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

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 138034178) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID138034178
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2nnc(C)s2)CCCC1
InChIInChI=1S/C18H23N3O2S/c1-13-20-21-17(24-13)11-16(22)19-12-18(9-5-6-10-18)14-7-3-4-8-15(14)23-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyJKEDIBZDENBOOY-UHFFFAOYSA-N
XLogP3.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
CID 56552338
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 138034178) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccccc1C1(CNC(=O)Cc2nnc(C)s2)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JKEDIBZDENBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-20-21-17(24-13)11-16(22)19-12-18(9-5-6-10-18)14-7-3-4-8-15(14)23-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 138034178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).