2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide

C18H19N3O4S — CID 3050735

IUPAC2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O4S/c22-18(13-20-9-11-25-12-10-20)19-14-1-5-16(6-2-14)26-17-7-3-15(4-8-17)21(23)24/h1-8H,9-13H2,(H,19,22)
InChIKeyRUKVPGISKRPCDA-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.02
Rot. Bonds6

About 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide

2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide (PubChem CID 3050735) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
PubChem CID3050735
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O4S/c22-18(13-20-9-11-25-12-10-20)19-14-1-5-16(6-2-14)26-17-7-3-15(4-8-17)21(23)24/h1-8H,9-13H2,(H,19,22)
InChIKeyRUKVPGISKRPCDA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide (CID 3050735) is 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide?
The InChIKey is RUKVPGISKRPCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(13-20-9-11-25-12-10-20)19-14-1-5-16(6-2-14)26-17-7-3-15(4-8-17)21(23)24/h1-8H,9-13H2,(H,19,22).
What are the key properties of 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide?
2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 3050735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).