N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide

C21H23F2N3O3S — CID 24980070

IUPACN-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H23F2N3O3S/c1-3-26(11-18(27)25-21-16(22)8-5-9-17(21)23)20(29)13-30-12-19(28)24-15-7-4-6-14(2)10-15/h4-10H,3,11-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyHDJMSWKIRLJAHI-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.43
Rot. Bonds9

About N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide (PubChem CID 24980070) has the molecular formula C21H23F2N3O3S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
PubChem CID24980070
Molecular FormulaC21H23F2N3O3S
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC NameN-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H23F2N3O3S/c1-3-26(11-18(27)25-21-16(22)8-5-9-17(21)23)20(29)13-30-12-19(28)24-15-7-4-6-14(2)10-15/h4-10H,3,11-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyHDJMSWKIRLJAHI-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 24981231
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 38563756
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
methyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]-(2-methylpropyl)amino]propanoate
CID 55820482
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide (CID 24980070) is N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The InChIKey is HDJMSWKIRLJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3S/c1-3-26(11-18(27)25-21-16(22)8-5-9-17(21)23)20(29)13-30-12-19(28)24-15-7-4-6-14(2)10-15/h4-10H,3,11-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 24980070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).