N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide

C17H19N3O3S — CID 8023859

IUPACN-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(N3CCOCC3)cc2N)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(21)12-2-4-13(5-3-12)19-17(22)16-14(18)10-15(24-16)20-6-8-23-9-7-20/h2-5,10H,6-9,18H2,1H3,(H,19,22)
InChIKeyWMLFBGSHYWZGSJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.62
Rot. Bonds4

About N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide

N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 8023859) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID8023859
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(N3CCOCC3)cc2N)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(21)12-2-4-13(5-3-12)19-17(22)16-14(18)10-15(24-16)20-6-8-23-9-7-20/h2-5,10H,6-9,18H2,1H3,(H,19,22)
InChIKeyWMLFBGSHYWZGSJ-UHFFFAOYSA-N
XLogP2.62
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide (CID 8023859) is N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2sc(N3CCOCC3)cc2N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is WMLFBGSHYWZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(21)12-2-4-13(5-3-12)19-17(22)16-14(18)10-15(24-16)20-6-8-23-9-7-20/h2-5,10H,6-9,18H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide?
N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 8023859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).