N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

C18H19F2NO3S — CID 9046452

IUPACN-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C18H19F2NO3S/c1-3-23-15-7-6-13(10-16(15)24-4-2)21-18(22)11-25-17-8-5-12(19)9-14(17)20/h5-10H,3-4,11H2,1-2H3,(H,21,22)
InChIKeySPOWRMRWUVATRV-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.49
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 9046452) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID9046452
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C18H19F2NO3S/c1-3-23-15-7-6-13(10-16(15)24-4-2)21-18(22)11-25-17-8-5-12(19)9-14(17)20/h5-10H,3-4,11H2,1-2H3,(H,21,22)
InChIKeySPOWRMRWUVATRV-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537379
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
CID 167846360

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 9046452) is N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(F)cc2F)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is SPOWRMRWUVATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-3-23-15-7-6-13(10-16(15)24-4-2)21-18(22)11-25-17-8-5-12(19)9-14(17)20/h5-10H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 367.42 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9046452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).