N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide

C20H23N3O6S — CID 4931080

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O6S/c1-15-10-12-22(13-11-15)30(27,28)17-8-6-16(7-9-17)21-20(24)14-29-19-5-3-2-4-18(19)23(25)26/h2-9,15H,10-14H2,1H3,(H,21,24)
InChIKeyVODQQLWQIISZSQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.03
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 4931080) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID4931080
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O6S/c1-15-10-12-22(13-11-15)30(27,28)17-8-6-16(7-9-17)21-20(24)14-29-19-5-3-2-4-18(19)23(25)26/h2-9,15H,10-14H2,1H3,(H,21,24)
InChIKeyVODQQLWQIISZSQ-UHFFFAOYSA-N
XLogP3.03
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.03
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

2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810681
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30425129
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide (CID 4931080) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is VODQQLWQIISZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-15-10-12-22(13-11-15)30(27,28)17-8-6-16(7-9-17)21-20(24)14-29-19-5-3-2-4-18(19)23(25)26/h2-9,15H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4931080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).