3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C23H24ClN3O3S — CID 27887356

IUPAC3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H24ClN3O3S/c24-21-18-7-3-4-8-19(18)31-22(21)23(29)26-14-20(28)25-13-16-5-1-2-6-17(16)15-27-9-11-30-12-10-27/h1-8H,9-15H2,(H,25,28)(H,26,29)
InChIKeyFDOOWIVDGVUEGE-UHFFFAOYSA-N
MW457.98 g/mol
LogP3.43
Rot. Bonds7

About 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 27887356) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID27887356
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H24ClN3O3S/c24-21-18-7-3-4-8-19(18)31-22(21)23(29)26-14-20(28)25-13-16-5-1-2-6-17(16)15-27-9-11-30-12-10-27/h1-8H,9-15H2,(H,25,28)(H,26,29)
InChIKeyFDOOWIVDGVUEGE-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 8643446
3-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9204862
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 27887356) is 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FDOOWIVDGVUEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c24-21-18-7-3-4-8-19(18)31-22(21)23(29)26-14-20(28)25-13-16-5-1-2-6-17(16)15-27-9-11-30-12-10-27/h1-8H,9-15H2,(H,25,28)(H,26,29).
What are the key properties of 3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 3.43, 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-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27887356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).