N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide

C18H16INO2S — CID 90495714

IUPACN-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccccc1I)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H16INO2S/c19-17-8-2-1-7-16(17)18(21)20(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2
InChIKeyDYMPCTXBFLSYGY-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.83
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide

N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90495714) has the molecular formula C18H16INO2S and a molecular weight of 437.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90495714
Molecular FormulaC18H16INO2S
Molecular Weight437.30 g/mol
Exact Mass436.99
IUPAC NameN-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccccc1I)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H16INO2S/c19-17-8-2-1-7-16(17)18(21)20(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2
InChIKeyDYMPCTXBFLSYGY-UHFFFAOYSA-N
XLogP4.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide 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

2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 71781319
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 18090196
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide (CID 90495714) is N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccccc1I)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is DYMPCTXBFLSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO2S/c19-17-8-2-1-7-16(17)18(21)20(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2.
What are the key properties of N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide?
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 437.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).