2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide

C15H15NO2S — CID 139879435

IUPAC2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(OCS)cc1
InChIInChI=1S/C15H15NO2S/c17-15(10-12-4-2-1-3-5-12)16-13-6-8-14(9-7-13)18-11-19/h1-9,19H,10-11H2,(H,16,17)
InChIKeyWVXFGMSLOICKPC-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.13
Rot. Bonds5

About 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide

2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide (PubChem CID 139879435) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide
PubChem CID139879435
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(OCS)cc1
InChIInChI=1S/C15H15NO2S/c17-15(10-12-4-2-1-3-5-12)16-13-6-8-14(9-7-13)18-11-19/h1-9,19H,10-11H2,(H,16,17)
InChIKeyWVXFGMSLOICKPC-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide (CID 139879435) is 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(OCS)cc1.
What is the InChIKey of 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide?
The InChIKey is WVXFGMSLOICKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(10-12-4-2-1-3-5-12)16-13-6-8-14(9-7-13)18-11-19/h1-9,19H,10-11H2,(H,16,17).
What are the key properties of 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide?
2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide is sourced from PubChem (CID 139879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).