N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide

C14H21N5O5S — CID 32562189

IUPACN-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H21N5O5S/c15-25(23,24)18-9-5-11(6-10-18)14(20)17-8-7-16-12-1-3-13(4-2-12)19(21)22/h1-4,11,16H,5-10H2,(H,17,20)(H2,15,23,24)
InChIKeySCEQQYJDUPUKOU-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.04
Rot. Bonds7

About N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide

N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 32562189) has the molecular formula C14H21N5O5S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID32562189
Molecular FormulaC14H21N5O5S
Molecular Weight371.42 g/mol
Exact Mass371.13
IUPAC NameN-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H21N5O5S/c15-25(23,24)18-9-5-11(6-10-18)14(20)17-8-7-16-12-1-3-13(4-2-12)19(21)22/h1-4,11,16H,5-10H2,(H,17,20)(H2,15,23,24)
InChIKeySCEQQYJDUPUKOU-UHFFFAOYSA-N
XLogP0.04
TPSA147.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.04
H-Bond Donors ≤ 53
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

1-(4-fluorophenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262550
N-[2-(4-nitroanilino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713007
1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262875
1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823166
N-butyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26590877
N-hexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 32645637
N-[2-(4-nitroanilino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55514350
N-[2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153170
N-[2-(4-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41262654
(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
CID 119272520
N',4-dimethyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide
CID 111212161
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 32562189) is N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide is NS(=O)(=O)N1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is SCEQQYJDUPUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5S/c15-25(23,24)18-9-5-11(6-10-18)14(20)17-8-7-16-12-1-3-13(4-2-12)19(21)22/h1-4,11,16H,5-10H2,(H,17,20)(H2,15,23,24).
What are the key properties of N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 32562189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).