N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H17IN2O3S2 — CID 2388200

IUPACN-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17IN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyKOKMDLBUQDCMLX-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.39
Rot. Bonds4

About N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2388200) has the molecular formula C16H17IN2O3S2 and a molecular weight of 476.36 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2388200
Molecular FormulaC16H17IN2O3S2
Molecular Weight476.36 g/mol
Exact Mass475.97
IUPAC NameN-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17IN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyKOKMDLBUQDCMLX-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-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-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26665541
N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187969
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2388200) is N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is KOKMDLBUQDCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S2/c17-13-3-5-14(6-4-13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,18,20).
What are the key properties of N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2388200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).