2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide

C20H25FN2O3S — CID 53288310

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-5-18(20(24)22-16-12-10-15(11-13-16)14(2)3)23(27(4,25)26)19-9-7-6-8-17(19)21/h6-14,18H,5H2,1-4H3,(H,22,24)
InChIKeyRHEZDSPPMGNXAL-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.13
Rot. Bonds7

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 53288310) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID53288310
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-5-18(20(24)22-16-12-10-15(11-13-16)14(2)3)23(27(4,25)26)19-9-7-6-8-17(19)21/h6-14,18H,5H2,1-4H3,(H,22,24)
InChIKeyRHEZDSPPMGNXAL-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 133166619
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 132672791
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
CID 95195829
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125083737
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 99132849
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]butanamide
CID 99132848

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide (CID 53288310) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide is CCC(C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is RHEZDSPPMGNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-5-18(20(24)22-16-12-10-15(11-13-16)14(2)3)23(27(4,25)26)19-9-7-6-8-17(19)21/h6-14,18H,5H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 392.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 53288310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).