4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

C24H25NO3S — CID 19486463

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C24H25NO3S/c1-16(18-6-9-21(27-2)10-7-18)25-24(26)23-12-17(15-29-23)14-28-22-11-8-19-4-3-5-20(19)13-22/h6-13,15-16H,3-5,14H2,1-2H3,(H,25,26)
InChIKeyGYIAGZQOMFGDGS-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.32
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 19486463) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID19486463
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C24H25NO3S/c1-16(18-6-9-21(27-2)10-7-18)25-24(26)23-12-17(15-29-23)14-28-22-11-8-19-4-3-5-20(19)13-22/h6-13,15-16H,3-5,14H2,1-2H3,(H,25,26)
InChIKeyGYIAGZQOMFGDGS-UHFFFAOYSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
methyl 2-[[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19486477
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19484795
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
methyl 1-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 19486614
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 19486463) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(COc3ccc4c(c3)CCC4)cs2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GYIAGZQOMFGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-16(18-6-9-21(27-2)10-7-18)25-24(26)23-12-17(15-29-23)14-28-22-11-8-19-4-3-5-20(19)13-22/h6-13,15-16H,3-5,14H2,1-2H3,(H,25,26).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19486463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).