2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H24FN3O4S — CID 9100029

IUPAC2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1F
InChIInChI=1S/C20H24FN3O4S/c1-14-3-5-16(11-18(14)21)22-13-20(25)23-19-12-17(6-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyMTJGOIXUUWVWNY-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.51
Rot. Bonds6

About 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 9100029) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID9100029
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1F
InChIInChI=1S/C20H24FN3O4S/c1-14-3-5-16(11-18(14)21)22-13-20(25)23-19-12-17(6-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyMTJGOIXUUWVWNY-UHFFFAOYSA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
CID 29327873
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 9083286
N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 2361311
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 46568097

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 9100029) is 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MTJGOIXUUWVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-14-3-5-16(11-18(14)21)22-13-20(25)23-19-12-17(6-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 421.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9100029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).