2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide

C16H15N3O5S — CID 3321407

IUPAC2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5S/c1-23-13-4-2-3-5-14(13)24-10-15(20)18-16(25)17-11-6-8-12(9-7-11)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,25)
InChIKeyIEKJXGLPYABADA-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide

2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide (PubChem CID 3321407) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
PubChem CID3321407
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5S/c1-23-13-4-2-3-5-14(13)24-10-15(20)18-16(25)17-11-6-8-12(9-7-11)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,25)
InChIKeyIEKJXGLPYABADA-UHFFFAOYSA-N
XLogP2.50
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188289
2-(2,5-dimethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5207866
2-(4-bromo-2-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5208698
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
N-[(4-iodophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 3351403
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188306
N-[(4-nitrophenyl)carbamothioyl]butanamide
CID 3383116
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
2-(2-ethoxyethoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 17122993
2-(4-methoxyphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3307651
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 5230620

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide (CID 3321407) is 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide is COc1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The InChIKey is IEKJXGLPYABADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-23-13-4-2-3-5-14(13)24-10-15(20)18-16(25)17-11-6-8-12(9-7-11)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,25).
What are the key properties of 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide has a molecular weight of 361.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3321407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).