N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide

C19H21NO2S — CID 119037635

IUPACN-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCS(=O)CC(NC(=O)c1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-23(22)13-18(15-7-3-2-4-8-15)20-19(21)17-12-6-10-14-9-5-11-16(14)17/h2-4,6-8,10,12,18H,5,9,11,13H2,1H3,(H,20,21)
InChIKeyFNZDOLIUJAVYJH-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.02
Rot. Bonds5

About N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide

N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 119037635) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID119037635
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCS(=O)CC(NC(=O)c1cccc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-23(22)13-18(15-7-3-2-4-8-15)20-19(21)17-12-6-10-14-9-5-11-16(14)17/h2-4,6-8,10,12,18H,5,9,11,13H2,1H3,(H,20,21)
InChIKeyFNZDOLIUJAVYJH-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide 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

3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 167960254
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 136552069
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
3-chloro-4-hydroxy-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]benzamide
CID 95972136
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
2,4-difluoro-6-hydroxy-N-(2-methylsulfinyl-1-phenylethyl)benzamide
CID 71980616
2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide
CID 96570110
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide (CID 119037635) is N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide is CS(=O)CC(NC(=O)c1cccc2c1CCC2)c1ccccc1.
What is the InChIKey of N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is FNZDOLIUJAVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-23(22)13-18(15-7-3-2-4-8-15)20-19(21)17-12-6-10-14-9-5-11-16(14)17/h2-4,6-8,10,12,18H,5,9,11,13H2,1H3,(H,20,21).
What are the key properties of N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide?
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 119037635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).