(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide

C18H22FN3O3S — CID 18168761

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)c1cccnc1
InChIInChI=1S/C18H22FN3O3S/c1-12(2)17(18(23)21-13(3)14-7-6-10-20-11-14)22-26(24,25)16-9-5-4-8-15(16)19/h4-13,17,22H,1-3H3,(H,21,23)/t13?,17-/m0/s1
InChIKeyZUOAWXQBZJDIBX-RUINGEJQSA-N
MW379.46 g/mol
LogP2.40
Rot. Bonds7

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide (PubChem CID 18168761) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
PubChem CID18168761
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)c1cccnc1
InChIInChI=1S/C18H22FN3O3S/c1-12(2)17(18(23)21-13(3)14-7-6-10-20-11-14)22-26(24,25)16-9-5-4-8-15(16)19/h4-13,17,22H,1-3H3,(H,21,23)/t13?,17-/m0/s1
InChIKeyZUOAWXQBZJDIBX-RUINGEJQSA-N
XLogP2.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 73419570
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324470
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide (CID 18168761) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide is CC(NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)c1cccnc1.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide?
The InChIKey is ZUOAWXQBZJDIBX-RUINGEJQSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12(2)17(18(23)21-13(3)14-7-6-10-20-11-14)22-26(24,25)16-9-5-4-8-15(16)19/h4-13,17,22H,1-3H3,(H,21,23)/t13?,17-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide has a molecular weight of 379.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 18168761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).