2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide

C22H23N3O3S — CID 56570106

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-16-5-7-17(8-6-16)20-13-21(28-25-20)24-22(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNTTKJLIDDULFHA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.98
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 56570106) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
PubChem CID56570106
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCc1ccc(-c2cc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-16-5-7-17(8-6-16)20-13-21(28-25-20)24-22(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNTTKJLIDDULFHA-UHFFFAOYSA-N
XLogP4.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 22830494
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
CID 96540684
2-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56529980
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 9453544
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
CID 55951430
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 7794363

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide (CID 56570106) is 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide is CCc1ccc(-c2cc(NC(=O)C(C)Sc3ccc(NC(C)=O)cc3)on2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is NTTKJLIDDULFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-16-5-7-17(8-6-16)20-13-21(28-25-20)24-22(27)14(2)29-19-11-9-18(10-12-19)23-15(3)26/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 56570106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).