(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide

C19H23FN2O3S — CID 18114734

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H23FN2O3S/c1-13(2)18(19(23)21-12-15-9-5-4-8-14(15)3)22-26(24,25)17-11-7-6-10-16(17)20/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyFEGAJXFTRJMKAH-SFHVURJKSA-N
MW378.47 g/mol
LogP2.75
Rot. Bonds7

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 18114734) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID18114734
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H23FN2O3S/c1-13(2)18(19(23)21-12-15-9-5-4-8-14(15)3)22-26(24,25)17-11-7-6-10-16(17)20/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyFEGAJXFTRJMKAH-SFHVURJKSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 55937923
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55939456
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 55349064
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 18128653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 18114734) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is FEGAJXFTRJMKAH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13(2)18(19(23)21-12-15-9-5-4-8-14(15)3)22-26(24,25)17-11-7-6-10-16(17)20/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 378.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 18114734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).