2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide

C22H21FN2O4S — CID 30232749

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
SMILESCOc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-24(18-8-4-3-5-9-18)22(26)16-25(20-10-6-7-11-21(20)29-2)30(27,28)19-14-12-17(23)13-15-19/h3-15H,16H2,1-2H3
InChIKeyYMDPQOWGWNPQNK-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.69
Rot. Bonds7

About 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide

2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide (PubChem CID 30232749) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
PubChem CID30232749
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
SMILESCOc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-24(18-8-4-3-5-9-18)22(26)16-25(20-10-6-7-11-21(20)29-2)30(27,28)19-14-12-17(23)13-15-19/h3-15H,16H2,1-2H3
InChIKeyYMDPQOWGWNPQNK-UHFFFAOYSA-N
XLogP3.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
(2S)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100578338
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 30232771
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033443
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide (CID 30232749) is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide is COc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide?
The InChIKey is YMDPQOWGWNPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-24(18-8-4-3-5-9-18)22(26)16-25(20-10-6-7-11-21(20)29-2)30(27,28)19-14-12-17(23)13-15-19/h3-15H,16H2,1-2H3.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide?
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide has a molecular weight of 428.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 30232749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).