N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide

C19H21NO3S — CID 111658799

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide
SMILESCC(C)S(=O)c1ccc(C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C19H21NO3S/c1-12(2)24(23)15-9-7-13(8-10-15)19(22)20-18-16-6-4-3-5-14(16)11-17(18)21/h3-10,12,17-18,21H,11H2,1-2H3,(H,20,22)
InChIKeyMSJRQVXBPGNAKU-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.59
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide (PubChem CID 111658799) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide
PubChem CID111658799
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide
SMILESCC(C)S(=O)c1ccc(C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C19H21NO3S/c1-12(2)24(23)15-9-7-13(8-10-15)19(22)20-18-16-6-4-3-5-14(16)11-17(18)21/h3-10,12,17-18,21H,11H2,1-2H3,(H,20,22)
InChIKeyMSJRQVXBPGNAKU-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
CID 136512281
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164603208
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110903621
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide (CID 111658799) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide is CC(C)S(=O)c1ccc(C(=O)NC2c3ccccc3CC2O)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide?
The InChIKey is MSJRQVXBPGNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-12(2)24(23)15-9-7-13(8-10-15)19(22)20-18-16-6-4-3-5-14(16)11-17(18)21/h3-10,12,17-18,21H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide has a molecular weight of 343.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide is sourced from PubChem (CID 111658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).