(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide

C14H18N2O3S — CID 172675128

IUPAC(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)C[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H18N2O3S/c1-11(13-6-4-3-5-7-13)10-20(17,18)16-9-14-15-8-12(2)19-14/h3-8,11,16H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyZXLBDYWEYRPSHD-LLVKDONJSA-N
MW294.38 g/mol
LogP2.21
Rot. Bonds6

About (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide

(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide (PubChem CID 172675128) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide
PubChem CID172675128
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)C[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H18N2O3S/c1-11(13-6-4-3-5-7-13)10-20(17,18)16-9-14-15-8-12(2)19-14/h3-8,11,16H,9-10H2,1-2H3/t11-/m1/s1
InChIKeyZXLBDYWEYRPSHD-LLVKDONJSA-N
XLogP2.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide (CID 172675128) is (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)C[C@@H](C)c2ccccc2)o1.
What is the InChIKey of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is ZXLBDYWEYRPSHD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(13-6-4-3-5-7-13)10-20(17,18)16-9-14-15-8-12(2)19-14/h3-8,11,16H,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide?
(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 172675128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).