N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C20H23F2N3O4S — CID 38369270

IUPACN-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(12-18(26)23-20-16(21)6-5-7-17(20)22)19(27)13-24(3)30(28,29)15-10-8-14(2)9-11-15/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyTWVQZFOPZVRBSC-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.38
Rot. Bonds8

About N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 38369270) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID38369270
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC NameN-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(12-18(26)23-20-16(21)6-5-7-17(20)22)19(27)13-24(3)30(28,29)15-10-8-14(2)9-11-15/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyTWVQZFOPZVRBSC-UHFFFAOYSA-N
XLogP2.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 2206422
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 38369270) is N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is TWVQZFOPZVRBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-4-25(12-18(26)23-20-16(21)6-5-7-17(20)22)19(27)13-24(3)30(28,29)15-10-8-14(2)9-11-15/h5-11H,4,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 439.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 38369270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).