N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C22H21N3O3S — CID 86874286

IUPACN-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C22H21N3O3S/c1-14-5-7-15(8-6-14)25-20(26)12-16(21(25)19-4-3-11-29-19)22(27)24-17-13-23-10-9-18(17)28-2/h3-11,13,16,21H,12H2,1-2H3,(H,24,27)
InChIKeyGHBPJWJNIIMEEF-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.19
Rot. Bonds5

About N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 86874286) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID86874286
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccncc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C22H21N3O3S/c1-14-5-7-15(8-6-14)25-20(26)12-16(21(25)19-4-3-11-29-19)22(27)24-17-13-23-10-9-18(17)28-2/h3-11,13,16,21H,12H2,1-2H3,(H,24,27)
InChIKeyGHBPJWJNIIMEEF-UHFFFAOYSA-N
XLogP4.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-1H-pyridin-3-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95139249
N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 56516973
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 47023701
N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55380770
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
(2S,3S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 26908261
methyl N-[4-[[[1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55732163
3-pyridin-3-ylpropyl 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate
CID 55333435
1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 16549005
1-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55822927
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 86874286) is N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is COc1ccncc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1c1cccs1.
What is the InChIKey of N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GHBPJWJNIIMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-5-7-15(8-6-14)25-20(26)12-16(21(25)19-4-3-11-29-19)22(27)24-17-13-23-10-9-18(17)28-2/h3-11,13,16,21H,12H2,1-2H3,(H,24,27).
What are the key properties of N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86874286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).