N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

C18H19N3O6S2 — CID 3365377

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O6S2/c22-18(13-28-16-6-4-15(5-7-16)21(23)24)19-14-2-1-3-17(12-14)29(25,26)20-8-10-27-11-9-20/h1-7,12H,8-11,13H2,(H,19,22)
InChIKeySYNRXCHIDFKHAJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.35
Rot. Bonds7

About N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 3365377) has the molecular formula C18H19N3O6S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID3365377
Molecular FormulaC18H19N3O6S2
Molecular Weight437.50 g/mol
Exact Mass437.07
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O6S2/c22-18(13-28-16-6-4-15(5-7-16)21(23)24)19-14-2-1-3-17(12-14)29(25,26)20-8-10-27-11-9-20/h1-7,12H,8-11,13H2,(H,19,22)
InChIKeySYNRXCHIDFKHAJ-UHFFFAOYSA-N
XLogP2.35
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2084437
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4571967
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5198517
2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4791591
2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 5036571
2-(benzylthio)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1137830
N-(4-morpholinophenyl)-2-(phenylsulfonyl)acetamide
CID 1481584
3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 2460107
N-[4-(4-morpholinylsulfonyl)phenyl]-2-(phenylthio)propanamide
CID 2950592

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 3365377) is N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is SYNRXCHIDFKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S2/c22-18(13-28-16-6-4-15(5-7-16)21(23)24)19-14-2-1-3-17(12-14)29(25,26)20-8-10-27-11-9-20/h1-7,12H,8-11,13H2,(H,19,22).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 437.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 3365377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).