N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide

C18H20ClN3O2S — CID 28689034

IUPACN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESNc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C18H20ClN3O2S/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12,20H2,(H,21,23)
InChIKeyLBYPOMRZXIGCRU-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.49
Rot. Bonds5

About N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 28689034) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID28689034
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESNc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C18H20ClN3O2S/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12,20H2,(H,21,23)
InChIKeyLBYPOMRZXIGCRU-UHFFFAOYSA-N
XLogP3.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3344499
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol
CID 27261608
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 28689034) is N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide is Nc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1N1CCOCC1.
What is the InChIKey of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is LBYPOMRZXIGCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12,20H2,(H,21,23).
What are the key properties of N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 377.90 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 28689034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).