2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide

C17H19N3O3S — CID 36732639

IUPAC2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c18-16(22)13-6-9-24-17(13)19-15(21)11-20-7-8-23-14(10-20)12-4-2-1-3-5-12/h1-6,9,14H,7-8,10-11H2,(H2,18,22)(H,19,21)/t14-/m1/s1
InChIKeyXIFOXBMFHMHEEA-CQSZACIVSA-N
MW345.42 g/mol
LogP1.86
Rot. Bonds5

About 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 36732639) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID36732639
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c18-16(22)13-6-9-24-17(13)19-15(21)11-20-7-8-23-14(10-20)12-4-2-1-3-5-12/h1-6,9,14H,7-8,10-11H2,(H2,18,22)(H,19,21)/t14-/m1/s1
InChIKeyXIFOXBMFHMHEEA-CQSZACIVSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 115647989
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide (CID 36732639) is 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XIFOXBMFHMHEEA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-16(22)13-6-9-24-17(13)19-15(21)11-20-7-8-23-14(10-20)12-4-2-1-3-5-12/h1-6,9,14H,7-8,10-11H2,(H2,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 36732639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).