2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide

C19H23FN2O3S — CID 52810187

IUPAC2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCCNC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-9-8-21-18(23)12-16-4-6-17(20)7-5-16/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyIKHHUUDSMCZLPR-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.39
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 52810187) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID52810187
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCCNC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-9-8-21-18(23)12-16-4-6-17(20)7-5-16/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyIKHHUUDSMCZLPR-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[4-(4-fluorophenyl)oxan-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 86898620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide (CID 52810187) is 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide is Cc1cc(C)c(S(=O)(=O)NCCNC(=O)Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is IKHHUUDSMCZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-9-8-21-18(23)12-16-4-6-17(20)7-5-16/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 52810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).