N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H19ClN2O2S — CID 24603962

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)C1Cc2ccccc2S1
InChIInChI=1S/C19H19ClN2O2S/c20-14-5-3-6-15(18(14)22-8-10-24-11-9-22)21-19(23)17-12-13-4-1-2-7-16(13)25-17/h1-7,17H,8-12H2,(H,21,23)
InChIKeyLMCZHFBBKGRKGH-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.83
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24603962) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24603962
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)C1Cc2ccccc2S1
InChIInChI=1S/C19H19ClN2O2S/c20-14-5-3-6-15(18(14)22-8-10-24-11-9-22)21-19(23)17-12-13-4-1-2-7-16(13)25-17/h1-7,17H,8-12H2,(H,21,23)
InChIKeyLMCZHFBBKGRKGH-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
CID 25347228
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79207464
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 97091089
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24603962) is N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)C1Cc2ccccc2S1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is LMCZHFBBKGRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-14-5-3-6-15(18(14)22-8-10-24-11-9-22)21-19(23)17-12-13-4-1-2-7-16(13)25-17/h1-7,17H,8-12H2,(H,21,23).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24603962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).