2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

C15H21NO2S — CID 61368363

IUPAC2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCCCCSCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C15H21NO2S/c1-2-3-8-19-10-14(18)16-15-12-7-5-4-6-11(12)9-13(15)17/h4-7,13,15,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyDDRPCQBGMNWGNQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.29
Rot. Bonds6

About 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 61368363) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID61368363
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCCCCSCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C15H21NO2S/c1-2-3-8-19-10-14(18)16-15-12-7-5-4-6-11(12)9-13(15)17/h4-7,13,15,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyDDRPCQBGMNWGNQ-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide 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-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111696498
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 61368363) is 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is CCCCSCC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is DDRPCQBGMNWGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-3-8-19-10-14(18)16-15-12-7-5-4-6-11(12)9-13(15)17/h4-7,13,15,17H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 279.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 61368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).