2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C18H21NO2S — CID 43909294

IUPAC2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(2)21-16-10-8-15(9-11-16)12-19-18(20)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyPTVTZBUOKOGXHG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.88
Rot. Bonds7

About 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 43909294) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID43909294
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(2)21-16-10-8-15(9-11-16)12-19-18(20)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyPTVTZBUOKOGXHG-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233586
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 62501307
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 92683988
N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845447

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 43909294) is 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)CSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is PTVTZBUOKOGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(2)21-16-10-8-15(9-11-16)12-19-18(20)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 43909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).