N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide

C13H13IN2O3S2 — CID 55645413

IUPACN-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2O3S2/c1-9(16-21(18,19)12-6-3-7-20-12)13(17)15-11-5-2-4-10(14)8-11/h2-9,16H,1H3,(H,15,17)
InChIKeySIACBFVYQCAYCU-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.66
Rot. Bonds5

About N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide

N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55645413) has the molecular formula C13H13IN2O3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55645413
Molecular FormulaC13H13IN2O3S2
Molecular Weight436.30 g/mol
Exact Mass435.94
IUPAC NameN-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2O3S2/c1-9(16-21(18,19)12-6-3-7-20-12)13(17)15-11-5-2-4-10(14)8-11/h2-9,16H,1H3,(H,15,17)
InChIKeySIACBFVYQCAYCU-UHFFFAOYSA-N
XLogP2.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 55965030
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
(2R)-N-(1H-pyrazol-5-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 95280952
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911543
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 47321746
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 48529738

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55645413) is N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is SIACBFVYQCAYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S2/c1-9(16-21(18,19)12-6-3-7-20-12)13(17)15-11-5-2-4-10(14)8-11/h2-9,16H,1H3,(H,15,17).
What are the key properties of N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 436.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55645413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).