N-(2-phenylethyl)butanamide;sulfuryl dichloride

C12H17Cl2NO3S — CID 163813551

IUPACN-(2-phenylethyl)butanamide;sulfuryl dichloride
SMILESCCCC(=O)NCCc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H17NO.Cl2O2S/c1-2-6-12(14)13-10-9-11-7-4-3-5-8-11;1-5(2,3)4/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14);
InChIKeyNPIWANKVPVFPKL-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.85
Rot. Bonds5

About N-(2-phenylethyl)butanamide;sulfuryl dichloride

N-(2-phenylethyl)butanamide;sulfuryl dichloride (PubChem CID 163813551) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2-phenylethyl)butanamide;sulfuryl dichloride.

Molecular Properties

Compound NameN-(2-phenylethyl)butanamide;sulfuryl dichloride
PubChem CID163813551
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC NameN-(2-phenylethyl)butanamide;sulfuryl dichloride
SMILESCCCC(=O)NCCc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C12H17NO.Cl2O2S/c1-2-6-12(14)13-10-9-11-7-4-3-5-8-11;1-5(2,3)4/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14);
InChIKeyNPIWANKVPVFPKL-UHFFFAOYSA-N
XLogP2.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-(2-phenylethylcarbamothioyl)butanamide
CID 5209312
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)butanamide;sulfuryl dichloride?
The IUPAC name of N-(2-phenylethyl)butanamide;sulfuryl dichloride (CID 163813551) is N-(2-phenylethyl)butanamide;sulfuryl dichloride.
What is the SMILES notation for N-(2-phenylethyl)butanamide;sulfuryl dichloride?
The canonical SMILES for N-(2-phenylethyl)butanamide;sulfuryl dichloride is CCCC(=O)NCCc1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of N-(2-phenylethyl)butanamide;sulfuryl dichloride?
The InChIKey is NPIWANKVPVFPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.Cl2O2S/c1-2-6-12(14)13-10-9-11-7-4-3-5-8-11;1-5(2,3)4/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14);.
What are the key properties of N-(2-phenylethyl)butanamide;sulfuryl dichloride?
N-(2-phenylethyl)butanamide;sulfuryl dichloride has a molecular weight of 326.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)butanamide;sulfuryl dichloride is sourced from PubChem (CID 163813551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).