2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone

C19H18N2O3S — CID 95975192

IUPAC2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C19H18N2O3S/c22-17(18-6-3-9-25-18)11-14-12-24-8-7-21(14)19(23)16-10-13-4-1-2-5-15(13)20-16/h1-6,9-10,14,20H,7-8,11-12H2/t14-/m1/s1
InChIKeyHQVFFLUSGJGEBF-CQSZACIVSA-N
MW354.43 g/mol
LogP3.34
Rot. Bonds4

About 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone

2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 95975192) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID95975192
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C19H18N2O3S/c22-17(18-6-3-9-25-18)11-14-12-24-8-7-21(14)19(23)16-10-13-4-1-2-5-15(13)20-16/h1-6,9-10,14,20H,7-8,11-12H2/t14-/m1/s1
InChIKeyHQVFFLUSGJGEBF-CQSZACIVSA-N
XLogP3.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 124608812
2-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 122143504
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
CID 115670212
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxymorpholin-4-yl]-(1H-indol-2-yl)methanone
CID 69483501

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone (CID 95975192) is 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone is O=C(C[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is HQVFFLUSGJGEBF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-17(18-6-3-9-25-18)11-14-12-24-8-7-21(14)19(23)16-10-13-4-1-2-5-15(13)20-16/h1-6,9-10,14,20H,7-8,11-12H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 354.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 95975192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).