N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C19H17N3O4S2 — CID 15945113

IUPACN-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O4S2/c1-12(28-19-21-16(11-27-19)13-6-4-3-5-7-13)18(23)20-15-10-14(22(24)25)8-9-17(15)26-2/h3-12H,1-2H3,(H,20,23)
InChIKeyNGZZLWGLXSOTII-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.85
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 15945113) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID15945113
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O4S2/c1-12(28-19-21-16(11-27-19)13-6-4-3-5-7-13)18(23)20-15-10-14(22(24)25)8-9-17(15)26-2/h3-12H,1-2H3,(H,20,23)
InChIKeyNGZZLWGLXSOTII-UHFFFAOYSA-N
XLogP4.85
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.85
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 15945113) is N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is NGZZLWGLXSOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-12(28-19-21-16(11-27-19)13-6-4-3-5-7-13)18(23)20-15-10-14(22(24)25)8-9-17(15)26-2/h3-12H,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 15945113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).