N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C25H27FN2O3S — CID 30233542

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-21-7-5-6-19(3)25(21)27-24(29)17-28(16-20-10-12-22(26)13-11-20)32(30,31)23-14-8-18(2)9-15-23/h5-15H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyAZWIWCVVHQJPEQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.83
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 30233542) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID30233542
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-21-7-5-6-19(3)25(21)27-24(29)17-28(16-20-10-12-22(26)13-11-20)32(30,31)23-14-8-18(2)9-15-23/h5-15H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyAZWIWCVVHQJPEQ-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2620856
N-(4-bromo-2,6-diethylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797999
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095141
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095868
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 30233542) is N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is CCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is AZWIWCVVHQJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-4-21-7-5-6-19(3)25(21)27-24(29)17-28(16-20-10-12-22(26)13-11-20)32(30,31)23-14-8-18(2)9-15-23/h5-15H,4,16-17H2,1-3H3,(H,27,29).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 30233542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).