(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide

C15H21BrFNO2S — CID 118305834

IUPAC(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,18H,9H2,1-5H3/t15-,21+/m0/s1
InChIKeyVEEMYTLLDHYMJQ-YCRPNKLZSA-N
MW378.31 g/mol
LogP3.83
Rot. Bonds5

About (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 118305834) has the molecular formula C15H21BrFNO2S and a molecular weight of 378.31 g/mol. Its IUPAC name is (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID118305834
Molecular FormulaC15H21BrFNO2S
Molecular Weight378.31 g/mol
Exact Mass377.05
IUPAC Name(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,18H,9H2,1-5H3/t15-,21+/m0/s1
InChIKeyVEEMYTLLDHYMJQ-YCRPNKLZSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

methyl (3S)-3-(3-bromophenyl)-3-(tert-butylsulfinylamino)butanoate
CID 66579814
N-[2-(5-bromo-2,4-difluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90238421
(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 159301963
methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
CID 105426665
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
ethyl (5S)-5-(5-bromo-2-fluorophenyl)-5-[[(R)-tert-butylsulfinyl]amino]-3-oxohexanoate
CID 130377125
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
2-amino-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913339
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
(3S)-3-(3-bromophenyl)-3-[[(R)-tert-butylsulfinyl]amino]-N-methoxy-N-methylbutanamide;ethane
CID 90797903
2-bromo-4-(2,3-dimethylbut-3-en-2-yl)-1-fluorobenzene
CID 89044661

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide (CID 118305834) is (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide is CC(=O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1.
What is the InChIKey of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is VEEMYTLLDHYMJQ-YCRPNKLZSA-N. The full InChI is InChI=1S/C15H21BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,18H,9H2,1-5H3/t15-,21+/m0/s1.
What are the key properties of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 378.31 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118305834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).