2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide

C18H19ClN2O4S — CID 43045600

IUPAC2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC2c2cccs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN2O4S/c1-24-14-9-11(8-12(19)17(14)25-10-16(20)22)18(23)21-6-2-4-13(21)15-5-3-7-26-15/h3,5,7-9,13H,2,4,6,10H2,1H3,(H2,20,22)
InChIKeyVOSMPPRISSGLPJ-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide

2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide (PubChem CID 43045600) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide
PubChem CID43045600
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC2c2cccs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN2O4S/c1-24-14-9-11(8-12(19)17(14)25-10-16(20)22)18(23)21-6-2-4-13(21)15-5-3-7-26-15/h3,5,7-9,13H,2,4,6,10H2,1H3,(H2,20,22)
InChIKeyVOSMPPRISSGLPJ-UHFFFAOYSA-N
XLogP3.25
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
CID 119651087
[3-methoxy-4-(3-methylbutoxy)phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 112767543
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3,5-dimethoxy-4-methylbenzoate
CID 55371431
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 42907920
2-(5-chloro-2,4-dimethoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17423018
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26189014
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(3-chloro-5-methoxy-4-propoxyphenyl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636899
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide (CID 43045600) is 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide is COc1cc(C(=O)N2CCCC2c2cccs2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide?
The InChIKey is VOSMPPRISSGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-24-14-9-11(8-12(19)17(14)25-10-16(20)22)18(23)21-6-2-4-13(21)15-5-3-7-26-15/h3,5,7-9,13H,2,4,6,10H2,1H3,(H2,20,22).
What are the key properties of 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide has a molecular weight of 394.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 43045600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).