4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide

C23H23NO2S — CID 19484847

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(COc2ccc3c(c2)CCC3)cs1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-16(18-6-3-2-4-7-18)24-23(25)22-12-17(15-27-22)14-26-21-11-10-19-8-5-9-20(19)13-21/h2-4,6-7,10-13,15-16H,5,8-9,14H2,1H3,(H,24,25)
InChIKeyXXBFMBMRZFMUOW-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.31
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide (PubChem CID 19484847) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
PubChem CID19484847
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(COc2ccc3c(c2)CCC3)cs1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-16(18-6-3-2-4-7-18)24-23(25)22-12-17(15-27-22)14-26-21-11-10-19-8-5-9-20(19)13-21/h2-4,6-7,10-13,15-16H,5,8-9,14H2,1H3,(H,24,25)
InChIKeyXXBFMBMRZFMUOW-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 19486463
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
N-(1-phenylethyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484709
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19484795
methyl 2-[[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19486477
4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide
CID 19471879
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486504
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide (CID 19484847) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide is CC(NC(=O)c1cc(COc2ccc3c(c2)CCC3)cs1)c1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is XXBFMBMRZFMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-16(18-6-3-2-4-7-18)24-23(25)22-12-17(15-27-22)14-26-21-11-10-19-8-5-9-20(19)13-21/h2-4,6-7,10-13,15-16H,5,8-9,14H2,1H3,(H,24,25).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19484847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).