N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

C18H19N3O4S — CID 2084437

IUPACN-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H19N3O4S/c22-18(13-26-15-7-5-14(6-8-15)21(23)24)19-16-3-1-2-4-17(16)20-9-11-25-12-10-20/h1-8H,9-13H2,(H,19,22)
InChIKeyDAROIPHKZFJYEV-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.16
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 2084437) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID2084437
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H19N3O4S/c22-18(13-26-15-7-5-14(6-8-15)21(23)24)19-16-3-1-2-4-17(16)20-9-11-25-12-10-20/h1-8H,9-13H2,(H,19,22)
InChIKeyDAROIPHKZFJYEV-UHFFFAOYSA-N
XLogP3.16
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
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-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 4964578
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5198517
N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
CID 2091613
N-[4-(morpholin-4-yl)phenyl]-2-(phenylsulfanyl)acetamide
CID 2342604
3-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 2534240
[2-(N-methylanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132223
N-(3-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 7998162
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide
CID 24980115
2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 2490997

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 2084437) is N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is DAROIPHKZFJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(13-26-15-7-5-14(6-8-15)21(23)24)19-16-3-1-2-4-17(16)20-9-11-25-12-10-20/h1-8H,9-13H2,(H,19,22).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 373.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 2084437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).