2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide

C19H22N2O3S — CID 45153926

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)Oc2ccc3c(c2)CCC3)c(C(N)=O)c1C
InChIInChI=1S/C19H22N2O3S/c1-10-12(3)25-19(16(10)17(20)22)21-18(23)11(2)24-15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyCRYYWCJMYNOWHF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.36
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide

2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 45153926) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID45153926
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)Oc2ccc3c(c2)CCC3)c(C(N)=O)c1C
InChIInChI=1S/C19H22N2O3S/c1-10-12(3)25-19(16(10)17(20)22)21-18(23)11(2)24-15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyCRYYWCJMYNOWHF-UHFFFAOYSA-N
XLogP3.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[2-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 2971404
4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 7378277
(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 35328998
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
2-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 7425464
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732602
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 45148000
4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
CID 4950022
ethyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1191013
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide (CID 45153926) is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)C(C)Oc2ccc3c(c2)CCC3)c(C(N)=O)c1C.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is CRYYWCJMYNOWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-10-12(3)25-19(16(10)17(20)22)21-18(23)11(2)24-15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 45153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).