4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide

C24H26ClN3O2S — CID 17483110

IUPAC4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCC(c2cccs2)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O2S/c25-20-8-6-19(7-9-20)24(29)27-21-4-1-3-18(15-21)16-26-17-22(23-5-2-14-31-23)28-10-12-30-13-11-28/h1-9,14-15,22,26H,10-13,16-17H2,(H,27,29)
InChIKeyOQVPDDXPAINAHQ-UHFFFAOYSA-N
MW456.01 g/mol
LogP4.82
Rot. Bonds8

About 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide

4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide (PubChem CID 17483110) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide
PubChem CID17483110
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.01 g/mol
Exact Mass455.14
IUPAC Name4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCC(c2cccs2)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O2S/c25-20-8-6-19(7-9-20)24(29)27-21-4-1-3-18(15-21)16-26-17-22(23-5-2-14-31-23)28-10-12-30-13-11-28/h1-9,14-15,22,26H,10-13,16-17H2,(H,27,29)
InChIKeyOQVPDDXPAINAHQ-UHFFFAOYSA-N
XLogP4.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.01
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide
CID 30961227
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
3-acetamido-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150838
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770369
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide (CID 17483110) is 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide is O=C(Nc1cccc(CNCC(c2cccs2)N2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide?
The InChIKey is OQVPDDXPAINAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c25-20-8-6-19(7-9-20)24(29)27-21-4-1-3-18(15-21)16-26-17-22(23-5-2-14-31-23)28-10-12-30-13-11-28/h1-9,14-15,22,26H,10-13,16-17H2,(H,27,29).
What are the key properties of 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide?
4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide has a molecular weight of 456.01 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 17483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).