N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

C27H28N4O3S — CID 31759584

IUPACN-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCCOc1ccccc1-c1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)o1
InChIInChI=1S/C27H28N4O3S/c1-4-33-24-13-9-8-12-23(24)26-29-30-27(34-26)35-18-25(32)31(19(2)3)22-16-14-21(15-17-22)28-20-10-6-5-7-11-20/h5-17,19,28H,4,18H2,1-3H3
InChIKeyMVEKYFHSAFKJNS-UHFFFAOYSA-N
MW488.61 g/mol
LogP6.41
Rot. Bonds10

About N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 31759584) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID31759584
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCCOc1ccccc1-c1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)o1
InChIInChI=1S/C27H28N4O3S/c1-4-33-24-13-9-8-12-23(24)26-29-30-27(34-26)35-18-25(32)31(19(2)3)22-16-14-21(15-17-22)28-20-10-6-5-7-11-20/h5-17,19,28H,4,18H2,1-3H3
InChIKeyMVEKYFHSAFKJNS-UHFFFAOYSA-N
XLogP6.41
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78797471
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334
N-[(2R)-butan-2-yl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26368493
N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 55602934
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 78815026
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 18192530
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78797638
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 35301607
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112787171
ethyl 4-[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 18192531
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N,3-trimethylbutanamide
CID 47080276
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17052686

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 31759584) is N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is CCOc1ccccc1-c1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)o1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is MVEKYFHSAFKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-4-33-24-13-9-8-12-23(24)26-29-30-27(34-26)35-18-25(32)31(19(2)3)22-16-14-21(15-17-22)28-20-10-6-5-7-11-20/h5-17,19,28H,4,18H2,1-3H3.
What are the key properties of N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 488.61 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 31759584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).