2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

C24H32N4O5S — CID 43893316

IUPAC2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32N4O5S/c1-2-20-9-6-7-17-26(20)18-8-16-25-24(29)19-27(21-12-14-22(15-13-21)28(30)31)34(32,33)23-10-4-3-5-11-23/h3-5,10-15,20H,2,6-9,16-19H2,1H3,(H,25,29)
InChIKeyYHXAUHYPESXMIP-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.56
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (PubChem CID 43893316) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
PubChem CID43893316
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32N4O5S/c1-2-20-9-6-7-17-26(20)18-8-16-25-24(29)19-27(21-12-14-22(15-13-21)28(30)31)34(32,33)23-10-4-3-5-11-23/h3-5,10-15,20H,2,6-9,16-19H2,1H3,(H,25,29)
InChIKeyYHXAUHYPESXMIP-UHFFFAOYSA-N
XLogP3.56
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897683
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901171
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
CID 2883874
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898641
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7439020
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209474
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (CID 43893316) is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is CCC1CCCCN1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is YHXAUHYPESXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-2-20-9-6-7-17-26(20)18-8-16-25-24(29)19-27(21-12-14-22(15-13-21)28(30)31)34(32,33)23-10-4-3-5-11-23/h3-5,10-15,20H,2,6-9,16-19H2,1H3,(H,25,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 488.61 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 43893316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).