2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide

C13H13IN2O3S2 — CID 108571250

IUPAC2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1cccs1)c1ccccc1I
InChIInChI=1S/C13H13IN2O3S2/c14-11-5-2-1-4-10(11)13(17)15-7-8-16-21(18,19)12-6-3-9-20-12/h1-6,9,16H,7-8H2,(H,15,17)
InChIKeyITXPYSWWHFBERI-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.06
Rot. Bonds6

About 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide

2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide (PubChem CID 108571250) has the molecular formula C13H13IN2O3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
PubChem CID108571250
Molecular FormulaC13H13IN2O3S2
Molecular Weight436.30 g/mol
Exact Mass435.94
IUPAC Name2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1cccs1)c1ccccc1I
InChIInChI=1S/C13H13IN2O3S2/c14-11-5-2-1-4-10(11)13(17)15-7-8-16-21(18,19)12-6-3-9-20-12/h1-6,9,16H,7-8H2,(H,15,17)
InChIKeyITXPYSWWHFBERI-UHFFFAOYSA-N
XLogP2.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 71912305
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
CID 108573350

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide (CID 108571250) is 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide is O=C(NCCNS(=O)(=O)c1cccs1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
The InChIKey is ITXPYSWWHFBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S2/c14-11-5-2-1-4-10(11)13(17)15-7-8-16-21(18,19)12-6-3-9-20-12/h1-6,9,16H,7-8H2,(H,15,17).
What are the key properties of 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide?
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide has a molecular weight of 436.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 108571250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).