N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C21H25N3O3S — CID 17405220

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O3S/c25-20-4-1-9-24(20)17-7-5-16(6-8-17)21(26)22-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-3,5-8,14,18H,1,4,9-13,15H2,(H,22,26)
InChIKeyQFGBFXNIMLTYSB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.68
Rot. Bonds6

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17405220) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17405220
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O3S/c25-20-4-1-9-24(20)17-7-5-16(6-8-17)21(26)22-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-3,5-8,14,18H,1,4,9-13,15H2,(H,22,26)
InChIKeyQFGBFXNIMLTYSB-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8008909
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 17405220) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QFGBFXNIMLTYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-20-4-1-9-24(20)17-7-5-16(6-8-17)21(26)22-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-3,5-8,14,18H,1,4,9-13,15H2,(H,22,26).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 399.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17405220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).