N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide

C18H28N4O5S — CID 4600938

IUPACN-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H28N4O5S/c1-3-20(4-2)13-11-19-18(23)17-10-5-6-12-21(17)28(26,27)16-9-7-8-15(14-16)22(24)25/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,19,23)
InChIKeyKAFYWMZPVJNHMN-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.60
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide

N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 4600938) has the molecular formula C18H28N4O5S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID4600938
Molecular FormulaC18H28N4O5S
Molecular Weight412.51 g/mol
Exact Mass412.18
IUPAC NameN-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H28N4O5S/c1-3-20(4-2)13-11-19-18(23)17-10-5-6-12-21(17)28(26,27)16-9-7-8-15(14-16)22(24)25/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,19,23)
InChIKeyKAFYWMZPVJNHMN-UHFFFAOYSA-N
XLogP1.60
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.60
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'}

Analyze N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide 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

N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
CB29 (derivative 19)
CID 17560769
1-[(2-Nitrophenyl)sulfonyl]-2-(1-piperidinylcarbonyl)piperidine
CID 2929456
Cyclohexanecarboxylic acid [1-(3-nitro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218809
[1-(2-Nitrophenyl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 5226509
N-(2-Fluorophenyl)-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-YL]propanamide
CID 24789945
4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 24979335
3-[2-[4-(3-Nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25162257
N-cycloheptyl-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57400244
4-(4-Nitro-benzenesulfonyl)-piperazine-2,6-dione
CID 726644
1-Cyclohexanecarbonyl-4-(3-nitrobenzenesulfonyl)piperazine
CID 16004176
2-[(4-Methyl-1-piperidinyl)carbonyl]-1-[(3-nitrophenyl)sulfonyl]piperidine
CID 2927664

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide (CID 4600938) is N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide is CCN(CC)CCNC(=O)C1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is KAFYWMZPVJNHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S/c1-3-20(4-2)13-11-19-18(23)17-10-5-6-12-21(17)28(26,27)16-9-7-8-15(14-16)22(24)25/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide?
N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 4600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).