(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide

C15H23FN2O4S — CID 18160979

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
SMILESCOCC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C15H23FN2O4S/c1-10(2)14(15(19)17-11(3)9-22-4)18-23(20,21)13-8-6-5-7-12(13)16/h5-8,10-11,14,18H,9H2,1-4H3,(H,17,19)/t11?,14-/m0/s1
InChIKeyONWCCNYOTQQCJG-IAXJKZSUSA-N
MW346.42 g/mol
LogP1.28
Rot. Bonds8

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide (PubChem CID 18160979) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
PubChem CID18160979
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
SMILESCOCC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C15H23FN2O4S/c1-10(2)14(15(19)17-11(3)9-22-4)18-23(20,21)13-8-6-5-7-12(13)16/h5-8,10-11,14,18H,9H2,1-4H3,(H,17,19)/t11?,14-/m0/s1
InChIKeyONWCCNYOTQQCJG-IAXJKZSUSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 73419570
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55939456
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 119589001
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324470
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 41081163
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide (CID 18160979) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide is COCC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide?
The InChIKey is ONWCCNYOTQQCJG-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-10(2)14(15(19)17-11(3)9-22-4)18-23(20,21)13-8-6-5-7-12(13)16/h5-8,10-11,14,18H,9H2,1-4H3,(H,17,19)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide has a molecular weight of 346.42 g/mol, XLogP of 1.28, 8 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]-N-(1-methoxypropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 18160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).