N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide

C18H24N2O4S — CID 97063830

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCSCC2)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O4S/c1-23-15-7-6-13(12-16(15)24-14-4-2-3-5-14)19-17(21)18(22)20-8-10-25-11-9-20/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,21)
InChIKeyAPMUUHZQFKPEFV-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.53
Rot. Bonds4

About N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide (PubChem CID 97063830) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
PubChem CID97063830
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCSCC2)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O4S/c1-23-15-7-6-13(12-16(15)24-14-4-2-3-5-14)19-17(21)18(22)20-8-10-25-11-9-20/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,21)
InChIKeyAPMUUHZQFKPEFV-UHFFFAOYSA-N
XLogP2.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
CID 75414342
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3857414
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide (CID 97063830) is N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide is COc1ccc(NC(=O)C(=O)N2CCSCC2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide?
The InChIKey is APMUUHZQFKPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-15-7-6-13(12-16(15)24-14-4-2-3-5-14)19-17(21)18(22)20-8-10-25-11-9-20/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,21).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide has a molecular weight of 364.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 97063830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).