N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide

C16H15NOS — CID 107854750

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(S)c1
InChIInChI=1S/C16H15NOS/c18-16(13-6-3-7-15(19)10-13)17-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,19H,8-9H2,(H,17,18)
InChIKeyJCOSGGJOWSIION-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.87
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide (PubChem CID 107854750) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
PubChem CID107854750
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(S)c1
InChIInChI=1S/C16H15NOS/c18-16(13-6-3-7-15(19)10-13)17-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,19H,8-9H2,(H,17,18)
InChIKeyJCOSGGJOWSIION-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide 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

N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(methylamino)benzamide
CID 107856256
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide (CID 107854750) is N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide is O=C(NC1Cc2ccccc2C1)c1cccc(S)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide?
The InChIKey is JCOSGGJOWSIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16(13-6-3-7-15(19)10-13)17-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,19H,8-9H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide has a molecular weight of 269.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 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)-3-sulfanylbenzamide is sourced from PubChem (CID 107854750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).