1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C19H22ClN3O3S — CID 56558466

IUPAC1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCc2csc(C(C)C)n2)CC1=O
InChIInChI=1S/C19H22ClN3O3S/c1-11(2)19-22-14(10-27-19)8-21-18(25)12-6-17(24)23(9-12)15-7-13(20)4-5-16(15)26-3/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyCXJRKSUVYVDKJO-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.60
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 56558466) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID56558466
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCc2csc(C(C)C)n2)CC1=O
InChIInChI=1S/C19H22ClN3O3S/c1-11(2)19-22-14(10-27-19)8-21-18(25)12-6-17(24)23(9-12)15-7-13(20)4-5-16(15)26-3/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyCXJRKSUVYVDKJO-UHFFFAOYSA-N
XLogP3.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108760142
1-(3-bromophenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56557688
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55692250
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 55554296
1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191430
1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862
1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97072987
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 56558466) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)NCc2csc(C(C)C)n2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CXJRKSUVYVDKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-11(2)19-22-14(10-27-19)8-21-18(25)12-6-17(24)23(9-12)15-7-13(20)4-5-16(15)26-3/h4-5,7,10-12H,6,8-9H2,1-3H3,(H,21,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56558466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).