2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C18H21N3O2S — CID 1481586

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13,19H2,(H,20,22)
InChIKeySWKIEPMUTYWWOD-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 1481586) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID1481586
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13,19H2,(H,20,22)
InChIKeySWKIEPMUTYWWOD-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.84
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

2-(morpholin-4-yl)-1-(10H-phenothiazin-10-yl)ethanone
CID 713627
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
Novazine
CID 65735
2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
(2-Oxo-2-phenothiazin-10-ylethyl) 2-acetamidoacetate
CID 2371061
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-(phenylsulfanyl)acetamide
CID 3767520
N-[3-fluoro-4-(4-phenylpiperazino)phenyl]-2-(phenylsulfanyl)acetamide
CID 3789052
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3900118

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 1481586) is 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is Nc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SWKIEPMUTYWWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13,19H2,(H,20,22).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1481586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).