N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide

C20H24FN3O4S — CID 55942057

IUPACN-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H24FN3O4S/c1-13(24-29(27,28)17-11-6-5-10-16(17)21)18(25)22-14-8-7-9-15(12-14)23-19(26)20(2,3)4/h5-13,24H,1-4H3,(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyZSXHARAQUIBAEV-ZDUSSCGKSA-N
MW421.49 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 55942057) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID55942057
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H24FN3O4S/c1-13(24-29(27,28)17-11-6-5-10-16(17)21)18(25)22-14-8-7-9-15(12-14)23-19(26)20(2,3)4/h5-13,24H,1-4H3,(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyZSXHARAQUIBAEV-ZDUSSCGKSA-N
XLogP3.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 18224680
2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
CID 24656547
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
CID 95321208
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide (CID 55942057) is N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZSXHARAQUIBAEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-13(24-29(27,28)17-11-6-5-10-16(17)21)18(25)22-14-8-7-9-15(12-14)23-19(26)20(2,3)4/h5-13,24H,1-4H3,(H,22,25)(H,23,26)/t13-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 421.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55942057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).