3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide

C19H22BrN3O2S — CID 55378248

IUPAC3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C19H22BrN3O2S/c20-15-6-3-5-14(11-15)19(25)22-13-18(24)21-12-16(17-7-4-10-26-17)23-8-1-2-9-23/h3-7,10-11,16H,1-2,8-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyQMWRWJIPGSXBLK-UHFFFAOYSA-N
MW436.38 g/mol
LogP3.19
Rot. Bonds7

About 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide

3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide (PubChem CID 55378248) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide
PubChem CID55378248
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C19H22BrN3O2S/c20-15-6-3-5-14(11-15)19(25)22-13-18(24)21-12-16(17-7-4-10-26-17)23-8-1-2-9-23/h3-7,10-11,16H,1-2,8-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyQMWRWJIPGSXBLK-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide with MolForge

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Related Compounds

3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
CID 51923127
3-bromo-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55658814
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43843143
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
CID 134057464

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide (CID 55378248) is 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide?
The InChIKey is QMWRWJIPGSXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c20-15-6-3-5-14(11-15)19(25)22-13-18(24)21-12-16(17-7-4-10-26-17)23-8-1-2-9-23/h3-7,10-11,16H,1-2,8-9,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide has a molecular weight of 436.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide is sourced from PubChem (CID 55378248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).