N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide

C23H22N2O3S — CID 1307095

IUPACN-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H22N2O3S/c26-20(15-17-7-3-1-4-8-17)24-22-21(23(27)25-11-13-28-14-12-25)19(16-29-22)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,24,26)
InChIKeyAIMHWNLJPWAILD-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide

N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide (PubChem CID 1307095) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide
PubChem CID1307095
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H22N2O3S/c26-20(15-17-7-3-1-4-8-17)24-22-21(23(27)25-11-13-28-14-12-25)19(16-29-22)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,24,26)
InChIKeyAIMHWNLJPWAILD-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2096690
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CID 1190622
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CID 1111969
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CID 1358927
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CID 7446712
CID 7446712
CID 20855297
CID 20855297
CID 723132
CID 723132
CID 10091931
CID 10091931
CID 44560670
CID 44560670
CID 44560938
CID 44560938
CID 1656924
CID 1656924
CID 2792206
CID 2792206

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide (CID 1307095) is N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide?
The InChIKey is AIMHWNLJPWAILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-20(15-17-7-3-1-4-8-17)24-22-21(23(27)25-11-13-28-14-12-25)19(16-29-22)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,24,26).
What are the key properties of N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide?
N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide has a molecular weight of 406.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide is sourced from PubChem (CID 1307095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).