N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide

C21H19NO2S — CID 91624538

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C21H19NO2S/c23-20(17-7-5-15(6-8-17)18-10-12-25-13-18)22-14-21(24)11-9-16-3-1-2-4-19(16)21/h1-8,10,12-13,24H,9,11,14H2,(H,22,23)
InChIKeyBMWFIBSNCUUIDP-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.98
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide (PubChem CID 91624538) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
PubChem CID91624538
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C21H19NO2S/c23-20(17-7-5-15(6-8-17)18-10-12-25-13-18)22-14-21(24)11-9-16-3-1-2-4-19(16)21/h1-8,10,12-13,24H,9,11,14H2,(H,22,23)
InChIKeyBMWFIBSNCUUIDP-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95177148
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 75462892
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide (CID 91624538) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide is O=C(NCC1(O)CCc2ccccc21)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide?
The InChIKey is BMWFIBSNCUUIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-20(17-7-5-15(6-8-17)18-10-12-25-13-18)22-14-21(24)11-9-16-3-1-2-4-19(16)21/h1-8,10,12-13,24H,9,11,14H2,(H,22,23).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide has a molecular weight of 349.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 91624538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).