5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide

C16H24N2O3S — CID 94022762

IUPAC5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)s1
InChIInChI=1S/C16H24N2O3S/c1-10(18-8-11(2)21-12(3)9-18)7-17-16(20)15-6-5-14(22-15)13(4)19/h5-6,10-12H,7-9H2,1-4H3,(H,17,20)/t10-,11+,12+/m0/s1
InChIKeyMBMPVQLEYHJRNJ-QJPTWQEYSA-N
MW324.45 g/mol
LogP2.18
Rot. Bonds5

About 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide

5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide (PubChem CID 94022762) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
PubChem CID94022762
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)s1
InChIInChI=1S/C16H24N2O3S/c1-10(18-8-11(2)21-12(3)9-18)7-17-16(20)15-6-5-14(22-15)13(4)19/h5-6,10-12H,7-9H2,1-4H3,(H,17,20)/t10-,11+,12+/m0/s1
InChIKeyMBMPVQLEYHJRNJ-QJPTWQEYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide (CID 94022762) is 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)s1.
What is the InChIKey of 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide?
The InChIKey is MBMPVQLEYHJRNJ-QJPTWQEYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10(18-8-11(2)21-12(3)9-18)7-17-16(20)15-6-5-14(22-15)13(4)19/h5-6,10-12H,7-9H2,1-4H3,(H,17,20)/t10-,11+,12+/m0/s1.
What are the key properties of 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide?
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 94022762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).