N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C17H17N3O4S — CID 71801184

IUPACN-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H17N3O4S/c18-16(22)12-5-1-2-6-13(12)19-17(23)14-9-24-10-15(21)20(14)8-11-4-3-7-25-11/h1-7,14H,8-10H2,(H2,18,22)(H,19,23)
InChIKeyXYTODJSIQIIDGC-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.21
Rot. Bonds5

About N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 71801184) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID71801184
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H17N3O4S/c18-16(22)12-5-1-2-6-13(12)19-17(23)14-9-24-10-15(21)20(14)8-11-4-3-7-25-11/h1-7,14H,8-10H2,(H2,18,22)(H,19,23)
InChIKeyXYTODJSIQIIDGC-UHFFFAOYSA-N
XLogP1.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 71801184) is N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is NC(=O)c1ccccc1NC(=O)C1COCC(=O)N1Cc1cccs1.
What is the InChIKey of N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is XYTODJSIQIIDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c18-16(22)12-5-1-2-6-13(12)19-17(23)14-9-24-10-15(21)20(14)8-11-4-3-7-25-11/h1-7,14H,8-10H2,(H2,18,22)(H,19,23).
What are the key properties of N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 71801184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).