5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide

C17H27N3O3S — CID 30751701

IUPAC5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)s1
InChIInChI=1S/C17H27N3O3S/c1-12(2)10-14(20-6-8-23-9-7-20)11-18-17(22)15-4-5-16(24-15)19-13(3)21/h4-5,12,14H,6-11H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyPYELTGJANBSQBO-AWEZNQCLSA-N
MW353.49 g/mol
LogP2.18
Rot. Bonds7

About 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide

5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide (PubChem CID 30751701) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide
PubChem CID30751701
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)s1
InChIInChI=1S/C17H27N3O3S/c1-12(2)10-14(20-6-8-23-9-7-20)11-18-17(22)15-4-5-16(24-15)19-13(3)21/h4-5,12,14H,6-11H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyPYELTGJANBSQBO-AWEZNQCLSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide (CID 30751701) is 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)s1.
What is the InChIKey of 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide?
The InChIKey is PYELTGJANBSQBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12(2)10-14(20-6-8-23-9-7-20)11-18-17(22)15-4-5-16(24-15)19-13(3)21/h4-5,12,14H,6-11H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide?
5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide is sourced from PubChem (CID 30751701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).