N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide

C14H12INOS — CID 104693627

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1csc(I)c1
InChIInChI=1S/C14H12INOS/c15-13-7-11(8-18-13)14(17)16-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H,16,17)
InChIKeyOJTKCMWLOGMSBF-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.25
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 104693627) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID104693627
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1csc(I)c1
InChIInChI=1S/C14H12INOS/c15-13-7-11(8-18-13)14(17)16-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H,16,17)
InChIKeyOJTKCMWLOGMSBF-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
CID 119456063
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
CID 79693424
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide (CID 104693627) is N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide is O=C(NC1Cc2ccccc2C1)c1csc(I)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is OJTKCMWLOGMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c15-13-7-11(8-18-13)14(17)16-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 369.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 104693627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).