N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide

C21H24ClN3O2S — CID 71931009

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)N1CCSCC1c1ccccc1
InChIInChI=1S/C21H24ClN3O2S/c22-17-7-4-8-18(20(17)24-9-12-27-13-10-24)23-21(26)25-11-14-28-15-19(25)16-5-2-1-3-6-16/h1-8,19H,9-15H2,(H,23,26)
InChIKeyDZDMPZNSWJROIV-UHFFFAOYSA-N
MW417.96 g/mol
LogP4.50
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide (PubChem CID 71931009) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide
PubChem CID71931009
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)N1CCSCC1c1ccccc1
InChIInChI=1S/C21H24ClN3O2S/c22-17-7-4-8-18(20(17)24-9-12-27-13-10-24)23-21(26)25-11-14-28-15-19(25)16-5-2-1-3-6-16/h1-8,19H,9-15H2,(H,23,26)
InChIKeyDZDMPZNSWJROIV-UHFFFAOYSA-N
XLogP4.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 97091089
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
4-[(2,6-dichlorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906756
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24603962
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
CID 25347228
N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334
(5R)-N-(3-chloro-2-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1,4-diazepane-1-carboxamide
CID 95784144
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide (CID 71931009) is N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)N1CCSCC1c1ccccc1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide?
The InChIKey is DZDMPZNSWJROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c22-17-7-4-8-18(20(17)24-9-12-27-13-10-24)23-21(26)25-11-14-28-15-19(25)16-5-2-1-3-6-16/h1-8,19H,9-15H2,(H,23,26).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide has a molecular weight of 417.96 g/mol, XLogP of 4.50, 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)-3-phenylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71931009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).