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

C19H22FN3O4S — CID 9100033

IUPAC2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H22FN3O4S/c1-14-2-3-16(12-18(14)20)21-13-19(24)22-15-4-6-17(7-5-15)28(25,26)23-8-10-27-11-9-23/h2-7,12,21H,8-11,13H2,1H3,(H,22,24)
InChIKeyBWOWUXPDOGEFFS-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.21
Rot. Bonds6

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

2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 9100033) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID9100033
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H22FN3O4S/c1-14-2-3-16(12-18(14)20)21-13-19(24)22-15-4-6-17(7-5-15)28(25,26)23-8-10-27-11-9-23/h2-7,12,21H,8-11,13H2,1H3,(H,22,24)
InChIKeyBWOWUXPDOGEFFS-UHFFFAOYSA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
CID 29327873
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 9100033) is 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BWOWUXPDOGEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-14-2-3-16(12-18(14)20)21-13-19(24)22-15-4-6-17(7-5-15)28(25,26)23-8-10-27-11-9-23/h2-7,12,21H,8-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.21, 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-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9100033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).