(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide

C17H23ClN2O2S — CID 67990142

IUPAC(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(Cl)ccc1-c1c(C)noc1[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C17H23ClN2O2S/c1-10-9-13(18)7-8-14(10)15-11(2)19-22-16(15)12(3)20-23(21)17(4,5)6/h7-9,12,20H,1-6H3/t12-,23+/m0/s1
InChIKeyULCDCTVGFZATKJ-DAOPMYJZSA-N
MW354.90 g/mol
LogP4.72
Rot. Bonds4

About (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 67990142) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID67990142
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(Cl)ccc1-c1c(C)noc1[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C17H23ClN2O2S/c1-10-9-13(18)7-8-14(10)15-11(2)19-22-16(15)12(3)20-23(21)17(4,5)6/h7-9,12,20H,1-6H3/t12-,23+/m0/s1
InChIKeyULCDCTVGFZATKJ-DAOPMYJZSA-N
XLogP4.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 67990142) is (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide is Cc1cc(Cl)ccc1-c1c(C)noc1[C@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ULCDCTVGFZATKJ-DAOPMYJZSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-10-9-13(18)7-8-14(10)15-11(2)19-22-16(15)12(3)20-23(21)17(4,5)6/h7-9,12,20H,1-6H3/t12-,23+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 354.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67990142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).