2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

C18H21NO3S — CID 39498329

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)22-17-7-5-4-6-16(17)19-18(20)12-23-15-10-8-14(21-3)9-11-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyYIKVCMROCOXZBJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 39498329) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID39498329
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)22-17-7-5-4-6-16(17)19-18(20)12-23-15-10-8-14(21-3)9-11-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyYIKVCMROCOXZBJ-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-(3,5-dimethoxyphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112978568
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (CID 39498329) is 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is COc1ccc(SCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is YIKVCMROCOXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13(2)22-17-7-5-4-6-16(17)19-18(20)12-23-15-10-8-14(21-3)9-11-15/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 39498329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).