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

C19H22ClN3O3S — CID 25163856

IUPAC3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3S/c20-15-4-1-3-14(11-15)19(25)22-13-18(24)21-12-16(17-5-2-10-27-17)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyLWVNTOHVMSVCIV-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.32
Rot. Bonds7

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

3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 25163856) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID25163856
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3S/c20-15-4-1-3-14(11-15)19(25)22-13-18(24)21-12-16(17-5-2-10-27-17)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyLWVNTOHVMSVCIV-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (CID 25163856) is 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is LWVNTOHVMSVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-15-4-1-3-14(11-15)19(25)22-13-18(24)21-12-16(17-5-2-10-27-17)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 407.92 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25163856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).