(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

C17H25FN2O4S — CID 140979670

IUPAC(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILES[2H]N([C@@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m0/s1/i/hD
InChIKeyWSJWUIDLGZAXID-ZAPLZSDXSA-N
MW373.47 g/mol
LogP1.86
Rot. Bonds9

About (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (PubChem CID 140979670) has the molecular formula C17H25FN2O4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
PubChem CID140979670
Molecular FormulaC17H25FN2O4S
Molecular Weight373.47 g/mol
Exact Mass373.16
IUPAC Name(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILES[2H]N([C@@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m0/s1/i/hD
InChIKeyWSJWUIDLGZAXID-ZAPLZSDXSA-N
XLogP1.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11122265
2-[(4-fluorophenyl)sulfonylamino]-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
CID 22221660
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide
CID 25093407
methyl N-[(2S)-1-[(4-fluorophenyl)sulfonylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71878003
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 59029560
(2S)-2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)butanamide
CID 87133874
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
N-(1-bromo-4-methylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 114297205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The IUPAC name of (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (CID 140979670) is (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The canonical SMILES for (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is [2H]N([C@@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The InChIKey is WSJWUIDLGZAXID-ZAPLZSDXSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m0/s1/i/hD.
What are the key properties of (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide has a molecular weight of 373.47 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 140979670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).