N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C23H24FN3O4S2 — CID 3206933

IUPACN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2cccs2)cc1
InChIInChI=1S/C23H24FN3O4S2/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-20-3-2-12-32-20)16-22(28)25-13-18-6-8-19(24)9-7-18/h2-12,26H,13-16H2,1H3,(H,25,28)
InChIKeyFZEHVDQWVTZHJU-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.82
Rot. Bonds10

About N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206933) has the molecular formula C23H24FN3O4S2 and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206933
Molecular FormulaC23H24FN3O4S2
Molecular Weight489.59 g/mol
Exact Mass489.12
IUPAC NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2cccs2)cc1
InChIInChI=1S/C23H24FN3O4S2/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-20-3-2-12-32-20)16-22(28)25-13-18-6-8-19(24)9-7-18/h2-12,26H,13-16H2,1H3,(H,25,28)
InChIKeyFZEHVDQWVTZHJU-UHFFFAOYSA-N
XLogP2.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3409274
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 651872
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8939256
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596226
N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3206933) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2cccs2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FZEHVDQWVTZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S2/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-20-3-2-12-32-20)16-22(28)25-13-18-6-8-19(24)9-7-18/h2-12,26H,13-16H2,1H3,(H,25,28).
What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 489.59 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).