2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide

C19H22N4O5S — CID 46405187

IUPAC2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O5S/c20-19(24)12-14-4-6-15(7-5-14)21-17-9-8-16(13-18(17)23(25)26)29(27,28)22-10-2-1-3-11-22/h4-9,13,21H,1-3,10-12H2,(H2,20,24)
InChIKeyJBQISRILYGWMHW-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.54
Rot. Bonds7

About 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide

2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide (PubChem CID 46405187) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide
PubChem CID46405187
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O5S/c20-19(24)12-14-4-6-15(7-5-14)21-17-9-8-16(13-18(17)23(25)26)29(27,28)22-10-2-1-3-11-22/h4-9,13,21H,1-3,10-12H2,(H2,20,24)
InChIKeyJBQISRILYGWMHW-UHFFFAOYSA-N
XLogP2.54
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.54
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'}

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Related Compounds

3-methyl-N-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]butanamide
CID 24661955
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
N-(4-morpholin-4-ylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4789989
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
3-nitro-4-[4-(piperidin-1-ylmethyl)anilino]benzenesulfonamide
CID 108776114
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline
CID 18777948
N-(3-methoxyphenyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 7995764
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
2,4-dimethoxy-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline
CID 71903822
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide?
The IUPAC name of 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide (CID 46405187) is 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide is NC(=O)Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide?
The InChIKey is JBQISRILYGWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c20-19(24)12-14-4-6-15(7-5-14)21-17-9-8-16(13-18(17)23(25)26)29(27,28)22-10-2-1-3-11-22/h4-9,13,21H,1-3,10-12H2,(H2,20,24).
What are the key properties of 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide?
2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide is sourced from PubChem (CID 46405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).