4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide

C14H20BrNO2S — CID 95323115

IUPAC4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCC[S@@](=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-3-16(4-2)14(17)6-5-11-19(18)13-9-7-12(15)8-10-13/h7-10H,3-6,11H2,1-2H3/t19-/m1/s1
InChIKeyLHIQSMOYPFWDHF-LJQANCHMSA-N
MW346.29 g/mol
LogP3.21
Rot. Bonds7

About 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide

4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide (PubChem CID 95323115) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
PubChem CID95323115
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCC[S@@](=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-3-16(4-2)14(17)6-5-11-19(18)13-9-7-12(15)8-10-13/h7-10H,3-6,11H2,1-2H3/t19-/m1/s1
InChIKeyLHIQSMOYPFWDHF-LJQANCHMSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromophenyl)sulfinylbutanoyl-ethylamino]acetic acid
CID 119205783
4-[(R)-(4-bromophenyl)sulfinyl]-N-methyl-N-propylbutanamide
CID 95312186
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
2-[4-(4-bromophenyl)sulfinylbutanoyl-cyclopropylamino]acetic acid
CID 119194596
4-[(S)-(4-bromophenyl)sulfinyl]-N-[(2R)-butan-2-yl]butanamide
CID 95323144
N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
CID 81329247
N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119499048
(2-amino-2-oxoethyl) 4-[(R)-(4-bromophenyl)sulfinyl]butanoate
CID 95353673
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
N-[3-(aminomethyl)pentan-3-yl]-4-(4-bromophenyl)sulfinylbutanamide;hydrochloride
CID 119571593
N-(2-aminoethyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119385098
4-[4-(4-bromophenyl)sulfinylbutanoylamino]butanoic acid
CID 119170548

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide?
The IUPAC name of 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide (CID 95323115) is 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide is CCN(CC)C(=O)CCC[S@@](=O)c1ccc(Br)cc1.
What is the InChIKey of 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide?
The InChIKey is LHIQSMOYPFWDHF-LJQANCHMSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-3-16(4-2)14(17)6-5-11-19(18)13-9-7-12(15)8-10-13/h7-10H,3-6,11H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide?
4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide has a molecular weight of 346.29 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide is sourced from PubChem (CID 95323115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).