2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C18H19ClFNO3S — CID 18227991

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClFNO3S/c1-2-23-13-3-5-14(6-4-13)24-10-9-21-18(22)12-25-15-7-8-17(20)16(19)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyPQEHHJRVPDMYAC-UHFFFAOYSA-N
MW383.87 g/mol
LogP4.17
Rot. Bonds9

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 18227991) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID18227991
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClFNO3S/c1-2-23-13-3-5-14(6-4-13)24-10-9-21-18(22)12-25-15-7-8-17(20)16(19)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyPQEHHJRVPDMYAC-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826
butyl 2-(3-chloro-4-fluorophenyl)sulfanylacetate
CID 54943154
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132445
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-[2-(4-ethoxyphenoxy)ethyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31613632
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 18227991) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)CSc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is PQEHHJRVPDMYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-2-23-13-3-5-14(6-4-13)24-10-9-21-18(22)12-25-15-7-8-17(20)16(19)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 383.87 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 18227991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).