2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide

C18H17N3O3S — CID 55761619

IUPAC2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide
SMILESN#Cc1ccc(CSCC(=O)Nc2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c19-9-13-1-3-14(4-2-13)11-25-12-18(23)21-15-5-7-16(8-6-15)24-10-17(20)22/h1-8H,10-12H2,(H2,20,22)(H,21,23)
InChIKeySLZRTRAFMBETOU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.29
Rot. Bonds8

About 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide

2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide (PubChem CID 55761619) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide
PubChem CID55761619
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide
SMILESN#Cc1ccc(CSCC(=O)Nc2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c19-9-13-1-3-14(4-2-13)11-25-12-18(23)21-15-5-7-16(8-6-15)24-10-17(20)22/h1-8H,10-12H2,(H2,20,22)(H,21,23)
InChIKeySLZRTRAFMBETOU-UHFFFAOYSA-N
XLogP2.29
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540597
2-[(4-cyanophenyl)methylsulfanyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 146084163
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
ethyl 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetate
CID 4089203
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(dimethylamino)-3,5-difluorophenyl]acetamide
CID 55908733
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide (CID 55761619) is 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide is N#Cc1ccc(CSCC(=O)Nc2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide?
The InChIKey is SLZRTRAFMBETOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-9-13-1-3-14(4-2-13)11-25-12-18(23)21-15-5-7-16(8-6-15)24-10-17(20)22/h1-8H,10-12H2,(H2,20,22)(H,21,23).
What are the key properties of 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide?
2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide is sourced from PubChem (CID 55761619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).