3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide

C22H22ClFN2O2S — CID 2354503

IUPAC3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H22ClFN2O2S/c1-14(20(15-5-3-2-4-6-15)26-9-11-28-12-10-26)25-22(27)21-19(23)17-8-7-16(24)13-18(17)29-21/h2-8,13-14,20H,9-12H2,1H3,(H,25,27)/t14-,20+/m0/s1
InChIKeyKTUOLHGIWLZTFO-VBKZILBWSA-N
MW432.95 g/mol
LogP4.89
Rot. Bonds5

About 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 2354503) has the molecular formula C22H22ClFN2O2S and a molecular weight of 432.95 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID2354503
Molecular FormulaC22H22ClFN2O2S
Molecular Weight432.95 g/mol
Exact Mass432.11
IUPAC Name3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H22ClFN2O2S/c1-14(20(15-5-3-2-4-6-15)26-9-11-28-12-10-26)25-22(27)21-19(23)17-8-7-16(24)13-18(17)29-21/h2-8,13-14,20H,9-12H2,1H3,(H,25,27)/t14-,20+/m0/s1
InChIKeyKTUOLHGIWLZTFO-VBKZILBWSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide 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

5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771178
3-chloro-6-fluoro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17330653
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 18143521
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
3-chloro-6-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43390261
3-chloro-6-fluoro-N-[3-(1-phenylethoxy)propyl]-1-benzothiophene-2-carboxamide
CID 24678084
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 98689879

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide (CID 2354503) is 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide is C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is KTUOLHGIWLZTFO-VBKZILBWSA-N. The full InChI is InChI=1S/C22H22ClFN2O2S/c1-14(20(15-5-3-2-4-6-15)26-9-11-28-12-10-26)25-22(27)21-19(23)17-8-7-16(24)13-18(17)29-21/h2-8,13-14,20H,9-12H2,1H3,(H,25,27)/t14-,20+/m0/s1.
What are the key properties of 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2354503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).