2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

C18H21NO2S — CID 39000097

IUPAC2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(2)21-17-11-7-6-10-16(17)19-18(20)13-22-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyLISPXZWNGCKTCF-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.35
Rot. Bonds7

About 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 39000097) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID39000097
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(2)21-17-11-7-6-10-16(17)19-18(20)13-22-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyLISPXZWNGCKTCF-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498329
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (CID 39000097) is 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is LISPXZWNGCKTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(2)21-17-11-7-6-10-16(17)19-18(20)13-22-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 39000097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).