(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide

C17H14ClN3O3S — CID 9167011

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O
InChIInChI=1S/C17H14ClN3O3S/c1-24-14-3-2-12(18)7-13(14)21-9-11(6-15(21)22)16(23)20-17-10(8-19)4-5-25-17/h2-5,7,11H,6,9H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyQGLXMEYBXUNANY-LLVKDONJSA-N
MW375.84 g/mol
LogP3.27
Rot. Bonds4

About (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9167011) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9167011
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O
InChIInChI=1S/C17H14ClN3O3S/c1-24-14-3-2-12(18)7-13(14)21-9-11(6-15(21)22)16(23)20-17-10(8-19)4-5-25-17/h2-5,7,11H,6,9H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyQGLXMEYBXUNANY-LLVKDONJSA-N
XLogP3.27
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39091506
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 55811852
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 55636737
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(4-cyano-2-methoxyphenyl) 1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55330205
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8702152
S-[4-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529741
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 9167011) is (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QGLXMEYBXUNANY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-24-14-3-2-12(18)7-13(14)21-9-11(6-15(21)22)16(23)20-17-10(8-19)4-5-25-17/h2-5,7,11H,6,9H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9167011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).