N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide

C15H15NO3S — CID 96526031

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C15H15NO3S/c1-19-12-6-7-20-14(12)15(18)16-13-10-5-3-2-4-9(10)8-11(13)17/h2-7,11,13,17H,8H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyNOXUDSNEPITTMQ-YPMHNXCESA-N
MW289.36 g/mol
LogP2.14
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 96526031) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
PubChem CID96526031
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C15H15NO3S/c1-19-12-6-7-20-14(12)15(18)16-13-10-5-3-2-4-9(10)8-11(13)17/h2-7,11,13,17H,8H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyNOXUDSNEPITTMQ-YPMHNXCESA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 103816966
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 111696335
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 110903617
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68515656
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide (CID 96526031) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is NOXUDSNEPITTMQ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-12-6-7-20-14(12)15(18)16-13-10-5-3-2-4-9(10)8-11(13)17/h2-7,11,13,17H,8H2,1H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 96526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).