4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide

C17H26N2O3S — CID 11267750

IUPAC4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)C)CO2)C(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-11(2)15-10-22-17(18-15)16(12(3)4)19-23(20,21)14-8-6-13(5)7-9-14/h6-9,11-12,15-16,19H,10H2,1-5H3/t15-,16+/m1/s1
InChIKeyLMNNMRXDIIXASY-CVEARBPZSA-N
MW338.47 g/mol
LogP2.75
Rot. Bonds6

About 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide

4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide (PubChem CID 11267750) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
PubChem CID11267750
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)C)CO2)C(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-11(2)15-10-22-17(18-15)16(12(3)4)19-23(20,21)14-8-6-13(5)7-9-14/h6-9,11-12,15-16,19H,10H2,1-5H3/t15-,16+/m1/s1
InChIKeyLMNNMRXDIIXASY-CVEARBPZSA-N
XLogP2.75
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide (CID 11267750) is 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)C)CO2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
The InChIKey is LMNNMRXDIIXASY-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11(2)15-10-22-17(18-15)16(12(3)4)19-23(20,21)14-8-6-13(5)7-9-14/h6-9,11-12,15-16,19H,10H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide?
4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-methyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 11267750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).