2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

C24H28N2O3S — CID 154850019

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C24H28N2O3S/c27-15-17-4-3-11-26(14-17)24(29)20-7-2-8-21(12-20)25-23(28)16-30-22-10-9-18-5-1-6-19(18)13-22/h2,7-10,12-13,17,27H,1,3-6,11,14-16H2,(H,25,28)
InChIKeyLRIUZGGXKDWSLP-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.75
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 154850019) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID154850019
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C24H28N2O3S/c27-15-17-4-3-11-26(14-17)24(29)20-7-2-8-21(12-20)25-23(28)16-30-22-10-9-18-5-1-6-19(18)13-22/h2,7-10,12-13,17,27H,1,3-6,11,14-16H2,(H,25,28)
InChIKeyLRIUZGGXKDWSLP-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
(1S)-N-[3-[(3R)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97260282
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43008293
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (CID 154850019) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(C(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is LRIUZGGXKDWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-15-17-4-3-11-26(14-17)24(29)20-7-2-8-21(12-20)25-23(28)16-30-22-10-9-18-5-1-6-19(18)13-22/h2,7-10,12-13,17,27H,1,3-6,11,14-16H2,(H,25,28).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 154850019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).