4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide

C13H13IN2O3S2 — CID 43246478

IUPAC4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)cc1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C13H13IN2O3S2/c1-8(11-6-7-12(20-11)21(15,18)19)16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDXPVIXDRYIQMMU-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.49
Rot. Bonds4

About 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide

4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide (PubChem CID 43246478) has the molecular formula C13H13IN2O3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
PubChem CID43246478
Molecular FormulaC13H13IN2O3S2
Molecular Weight436.30 g/mol
Exact Mass435.94
IUPAC Name4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)cc1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C13H13IN2O3S2/c1-8(11-6-7-12(20-11)21(15,18)19)16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDXPVIXDRYIQMMU-UHFFFAOYSA-N
XLogP2.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.49
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

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3e
CID 25023798
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-(1-phenylethyl)thiophene-2-carboxamide
CID 2818070
5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 8866284
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide (CID 43246478) is 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(I)cc1)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The InChIKey is DXPVIXDRYIQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S2/c1-8(11-6-7-12(20-11)21(15,18)19)16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide has a molecular weight of 436.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 43246478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).