N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide

C18H20N2O3S — CID 71993105

IUPACN-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)CNC(=O)c2cccs2)C(c2ccccc2)CO1
InChIInChI=1S/C18H20N2O3S/c1-13-11-20(15(12-23-13)14-6-3-2-4-7-14)17(21)10-19-18(22)16-8-5-9-24-16/h2-9,13,15H,10-12H2,1H3,(H,19,22)
InChIKeyFCUFRCYUHWOKBL-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 71993105) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID71993105
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)CNC(=O)c2cccs2)C(c2ccccc2)CO1
InChIInChI=1S/C18H20N2O3S/c1-13-11-20(15(12-23-13)14-6-3-2-4-7-14)17(21)10-19-18(22)16-8-5-9-24-16/h2-9,13,15H,10-12H2,1H3,(H,19,22)
InChIKeyFCUFRCYUHWOKBL-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 71993105) is N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide is CC1CN(C(=O)CNC(=O)c2cccs2)C(c2ccccc2)CO1.
What is the InChIKey of N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FCUFRCYUHWOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-11-20(15(12-23-13)14-6-3-2-4-7-14)17(21)10-19-18(22)16-8-5-9-24-16/h2-9,13,15H,10-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71993105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).