(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide

C17H24ClN3O2S — CID 97091089

IUPAC(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESC[C@@H]1[C@@H](C)SCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H24ClN3O2S/c1-12-13(2)24-11-8-21(12)17(22)19-15-5-3-4-14(18)16(15)20-6-9-23-10-7-20/h3-5,12-13H,6-11H2,1-2H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyBOLGHZIGRQHELJ-CHWSQXEVSA-N
MW369.92 g/mol
LogP3.53
Rot. Bonds2

About (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide

(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide (PubChem CID 97091089) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
PubChem CID97091089
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESC[C@@H]1[C@@H](C)SCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H24ClN3O2S/c1-12-13(2)24-11-8-21(12)17(22)19-15-5-3-4-14(18)16(15)20-6-9-23-10-7-20/h3-5,12-13H,6-11H2,1-2H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyBOLGHZIGRQHELJ-CHWSQXEVSA-N
XLogP3.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-3-phenylthiomorpholine-4-carboxamide
CID 71931009
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
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-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24603962
(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-fluorobenzamide
CID 952438
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
CID 95784456
dimethyl (E)-2-(3-chloro-2-morpholin-4-ylanilino)but-2-enedioate
CID 168568994

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide (CID 97091089) is (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide is C[C@@H]1[C@@H](C)SCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The InChIKey is BOLGHZIGRQHELJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-12-13(2)24-11-8-21(12)17(22)19-15-5-3-4-14(18)16(15)20-6-9-23-10-7-20/h3-5,12-13H,6-11H2,1-2H3,(H,19,22)/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 97091089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).