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

C19H23FN2O3S2 — CID 30390281

IUPAC(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S2/c1-4-17(19(23)21-16-8-6-7-9-18(16)26-5-2)22(27(3,24)25)15-12-10-14(20)11-13-15/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyRDBUHJJCQZTGRX-KRWDZBQOSA-N
MW410.54 g/mol
LogP4.12
Rot. Bonds8

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

(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 30390281) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID30390281
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S2/c1-4-17(19(23)21-16-8-6-7-9-18(16)26-5-2)22(27(3,24)25)15-12-10-14(20)11-13-15/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyRDBUHJJCQZTGRX-KRWDZBQOSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)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

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 125077655
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53284156
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229519
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100504865
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide (CID 30390281) is (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide is CCSc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is RDBUHJJCQZTGRX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-4-17(19(23)21-16-8-6-7-9-18(16)26-5-2)22(27(3,24)25)15-12-10-14(20)11-13-15/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 410.54 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 30390281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).