(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide

C18H21FN2O4S — CID 99132754

IUPAC(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-4-16(18(22)20-13-9-11-14(25-2)12-10-13)21(26(3,23)24)17-8-6-5-7-15(17)19/h5-12,16H,4H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyLZLWSIMOSHWYQJ-INIZCTEOSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide

(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide (PubChem CID 99132754) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
PubChem CID99132754
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-4-16(18(22)20-13-9-11-14(25-2)12-10-13)21(26(3,23)24)17-8-6-5-7-15(17)19/h5-12,16H,4H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyLZLWSIMOSHWYQJ-INIZCTEOSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 133166619
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132853
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 132668084
(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
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
CID 132669270
ethyl 4-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 132670733
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide (CID 99132754) is (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide is CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide?
The InChIKey is LZLWSIMOSHWYQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-16(18(22)20-13-9-11-14(25-2)12-10-13)21(26(3,23)24)17-8-6-5-7-15(17)19/h5-12,16H,4H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide?
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide has a molecular weight of 380.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 99132754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).