2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

C14H21NO2S — CID 86912273

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCCOc1ccc(SCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H21NO2S/c1-5-17-12-6-8-13(9-7-12)18-10-14(16)15(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRXDABISAIDUMHE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 86912273) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
PubChem CID86912273
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCCOc1ccc(SCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H21NO2S/c1-5-17-12-6-8-13(9-7-12)18-10-14(16)15(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRXDABISAIDUMHE-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 9469167
2-(4-ethoxyphenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202563
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
CID 61383260
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78794262
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (CID 86912273) is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is CCOc1ccc(SCC(=O)N(C)C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is RXDABISAIDUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-5-17-12-6-8-13(9-7-12)18-10-14(16)15(4)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 267.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 86912273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).