N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide

C17H21N5O7S — CID 24567269

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C17H21N5O7S/c1-12-9-16(20(2)19-12)18-17(23)11-29-15-4-3-13(10-14(15)22(24)25)30(26,27)21-5-7-28-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,23)
InChIKeyOUJPNMVAFUJOFR-UHFFFAOYSA-N
MW439.45 g/mol
LogP0.68
Rot. Bonds7

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide (PubChem CID 24567269) has the molecular formula C17H21N5O7S and a molecular weight of 439.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
PubChem CID24567269
Molecular FormulaC17H21N5O7S
Molecular Weight439.45 g/mol
Exact Mass439.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C17H21N5O7S/c1-12-9-16(20(2)19-12)18-17(23)11-29-15-4-3-13(10-14(15)22(24)25)30(26,27)21-5-7-28-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,23)
InChIKeyOUJPNMVAFUJOFR-UHFFFAOYSA-N
XLogP0.68
TPSA145.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058598
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone
CID 4816828
2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 4811921
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4313786
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3974867
N-(2,3-dichlorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4213935
N-(4-methoxy-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3953912
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 7229741

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide (CID 24567269) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide?
The InChIKey is OUJPNMVAFUJOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O7S/c1-12-9-16(20(2)19-12)18-17(23)11-29-15-4-3-13(10-14(15)22(24)25)30(26,27)21-5-7-28-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide has a molecular weight of 439.45 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 24567269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).