[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate

C19H20N2O4S — CID 42895697

IUPAC[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C19H20N2O4S/c1-11(25-19(24)16-8-9-17(26-16)20-12(2)22)18(23)21-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQIFNXQGRAGMNDD-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.38
Rot. Bonds5

About [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate

[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate (PubChem CID 42895697) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate
PubChem CID42895697
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C19H20N2O4S/c1-11(25-19(24)16-8-9-17(26-16)20-12(2)22)18(23)21-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQIFNXQGRAGMNDD-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9383060
[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8578547
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238358
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41104835
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 8733934
[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010390
[1-(4-ethylanilino)-1-oxopropan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 16505585
[1-(3,4-dimethylanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23773779
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238550
[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856600

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate (CID 42895697) is [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate is CC(=O)Nc1ccc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)CCC3)s1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate?
The InChIKey is QIFNXQGRAGMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11(25-19(24)16-8-9-17(26-16)20-12(2)22)18(23)21-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate?
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-acetamidothiophene-2-carboxylate is sourced from PubChem (CID 42895697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).