N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C26H29N3O5S — CID 108725378

IUPACN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2)CC1=O
InChIInChI=1S/C26H29N3O5S/c1-32-11-10-29-15-20(13-24(29)30)25(31)27-14-17-4-6-18(7-5-17)26-28-21(16-35-26)19-8-9-22(33-2)23(12-19)34-3/h4-9,12,16,20H,10-11,13-15H2,1-3H3,(H,27,31)
InChIKeyWNMQVWCNIHUUMR-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.61
Rot. Bonds10

About N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108725378) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108725378
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2)CC1=O
InChIInChI=1S/C26H29N3O5S/c1-32-11-10-29-15-20(13-24(29)30)25(31)27-14-17-4-6-18(7-5-17)26-28-21(16-35-26)19-8-9-22(33-2)23(12-19)34-3/h4-9,12,16,20H,10-11,13-15H2,1-3H3,(H,27,31)
InChIKeyWNMQVWCNIHUUMR-UHFFFAOYSA-N
XLogP3.61
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-acetyl-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 108725376
1-benzyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 108761239
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182010
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
1-(2-methoxyethyl)-5-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 112816775
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589
(3S)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279688
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695
1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 108747681
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110109
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41104971

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108725378) is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2)CC1=O.
What is the InChIKey of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WNMQVWCNIHUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-32-11-10-29-15-20(13-24(29)30)25(31)27-14-17-4-6-18(7-5-17)26-28-21(16-35-26)19-8-9-22(33-2)23(12-19)34-3/h4-9,12,16,20H,10-11,13-15H2,1-3H3,(H,27,31).
What are the key properties of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).