N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

C19H19N3O5S — CID 55797041

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19N3O5S/c23-18(13-28-17-6-4-16(5-7-17)22(25)26)20-15-3-1-2-14(12-15)19(24)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyPHKSQYZSKZMMGC-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.80
Rot. Bonds6

About N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 55797041) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID55797041
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19N3O5S/c23-18(13-28-17-6-4-16(5-7-17)22(25)26)20-15-3-1-2-14(12-15)19(24)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyPHKSQYZSKZMMGC-UHFFFAOYSA-N
XLogP2.80
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.80
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-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4593253
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone
CID 33135080
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 55797041) is N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is PHKSQYZSKZMMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c23-18(13-28-17-6-4-16(5-7-17)22(25)26)20-15-3-1-2-14(12-15)19(24)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 401.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 55797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).