N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

C18H25N3O3S — CID 119938014

IUPACN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C18H25N3O3S/c1-24-16-5-4-13(18(23)21-7-2-3-8-21)10-15(16)20-17(22)11-14-12-25-9-6-19-14/h4-5,10,14,19H,2-3,6-9,11-12H2,1H3,(H,20,22)
InChIKeyKPHYXMBSBRCDJC-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.96
Rot. Bonds5

About N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938014) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938014
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C18H25N3O3S/c1-24-16-5-4-13(18(23)21-7-2-3-8-21)10-15(16)20-17(22)11-14-12-25-9-6-19-14/h4-5,10,14,19H,2-3,6-9,11-12H2,1H3,(H,20,22)
InChIKeyKPHYXMBSBRCDJC-UHFFFAOYSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940371
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938014) is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is KPHYXMBSBRCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-16-5-4-13(18(23)21-7-2-3-8-21)10-15(16)20-17(22)11-14-12-25-9-6-19-14/h4-5,10,14,19H,2-3,6-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 363.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).