2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide

C23H22N2O3S — CID 24677082

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1cccs1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H22N2O3S/c1-17(25-20-11-5-6-12-21(20)28-23(25)27)22(26)24(16-19-10-7-15-29-19)14-13-18-8-3-2-4-9-18/h2-12,15,17H,13-14,16H2,1H3
InChIKeyFDKGQCIVHCQJPV-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.49
Rot. Bonds7

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 24677082) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID24677082
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1cccs1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H22N2O3S/c1-17(25-20-11-5-6-12-21(20)28-23(25)27)22(26)24(16-19-10-7-15-29-19)14-13-18-8-3-2-4-9-18/h2-12,15,17H,13-14,16H2,1H3
InChIKeyFDKGQCIVHCQJPV-UHFFFAOYSA-N
XLogP4.49
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
2-(2-oxoquinoxalin-1-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17409812
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134037136
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[(5-methylthiophen-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)butanamide
CID 55390613
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 42931498
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
CID 7439225
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 24677082) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)N(CCc1ccccc1)Cc1cccs1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FDKGQCIVHCQJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-17(25-20-11-5-6-12-21(20)28-23(25)27)22(26)24(16-19-10-7-15-29-19)14-13-18-8-3-2-4-9-18/h2-12,15,17H,13-14,16H2,1H3.
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 24677082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).