(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide

C17H23NO4S — CID 35329287

IUPAC(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO4S/c1-2-16(17(19)18-14-8-9-23(20,21)11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14,16H,2-5,8-9,11H2,1H3,(H,18,19)/t14-,16+/m1/s1
InChIKeyOXHLRWZLAIIUKH-ZBFHGGJFSA-N
MW337.44 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide

(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide (PubChem CID 35329287) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
PubChem CID35329287
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO4S/c1-2-16(17(19)18-14-8-9-23(20,21)11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14,16H,2-5,8-9,11H2,1H3,(H,18,19)/t14-,16+/m1/s1
InChIKeyOXHLRWZLAIIUKH-ZBFHGGJFSA-N
XLogP1.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide with MolForge

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Related Compounds

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)butanamide
CID 35181634
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
N-(cyclobutylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)butanamide
CID 110281951
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161744
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
N-[(3S)-1,1-dioxothiolan-3-yl]-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 95335063
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
N-(1,1-dioxothiolan-3-yl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511244
N-(3-cyclopentyloxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133249694
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide (CID 35329287) is (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide is CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The InChIKey is OXHLRWZLAIIUKH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-2-16(17(19)18-14-8-9-23(20,21)11-14)22-15-7-6-12-4-3-5-13(12)10-15/h6-7,10,14,16H,2-5,8-9,11H2,1H3,(H,18,19)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide has a molecular weight of 337.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide is sourced from PubChem (CID 35329287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).