2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide

C17H24N2O2S — CID 167271474

IUPAC2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCCc1ccccc1)c1ncco1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)22(20)19-15(16-18-12-13-21-16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,15,19H,7,10-11H2,1-3H3
InChIKeySPEQINYBRKCISQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.79
Rot. Bonds7

About 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide

2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide (PubChem CID 167271474) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide
PubChem CID167271474
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCCc1ccccc1)c1ncco1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)22(20)19-15(16-18-12-13-21-16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,15,19H,7,10-11H2,1-3H3
InChIKeySPEQINYBRKCISQ-UHFFFAOYSA-N
XLogP3.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide (CID 167271474) is 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide is CC(C)(C)S(=O)NC(CCCc1ccccc1)c1ncco1.
What is the InChIKey of 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide?
The InChIKey is SPEQINYBRKCISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-17(2,3)22(20)19-15(16-18-12-13-21-16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,15,19H,7,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide?
2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide has a molecular weight of 320.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3-oxazol-2-yl)-4-phenylbutyl]propane-2-sulfinamide is sourced from PubChem (CID 167271474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).