4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide

C20H25FN2O3S — CID 99132564

IUPAC4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
SMILESCC[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-3-18(16-10-5-4-6-11-16)22-20(24)14-9-15-23(27(2,25)26)19-13-8-7-12-17(19)21/h4-8,10-13,18H,3,9,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyFEAVHYQUXAITMU-SFHVURJKSA-N
MW392.50 g/mol
LogP3.64
Rot. Bonds9

About 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide

4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide (PubChem CID 99132564) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide.

Molecular Properties

Compound Name4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
PubChem CID99132564
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
SMILESCC[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-3-18(16-10-5-4-6-11-16)22-20(24)14-9-15-23(27(2,25)26)19-13-8-7-12-17(19)21/h4-8,10-13,18H,3,9,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyFEAVHYQUXAITMU-SFHVURJKSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99132556
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 99132737
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191693
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132545
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43909489
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 100638424
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide?
The IUPAC name of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide (CID 99132564) is 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide.
What is the SMILES notation for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide?
The canonical SMILES for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide is CC[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide?
The InChIKey is FEAVHYQUXAITMU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-18(16-10-5-4-6-11-16)22-20(24)14-9-15-23(27(2,25)26)19-13-8-7-12-17(19)21/h4-8,10-13,18H,3,9,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide?
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide is sourced from PubChem (CID 99132564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).