N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide

C28H32N2O4S2 — CID 135064332

IUPACN-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)[C@]1(CCSC)N=C(c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C28H32N2O4S2/c1-5-25(30-36(32,33)24-14-12-20(13-15-24)19(2)3)28(16-17-35-4)27(31)34-26(29-28)23-11-10-21-8-6-7-9-22(21)18-23/h6-15,18-19,25,30H,5,16-17H2,1-4H3/t25-,28-/m0/s1
InChIKeyCBEAHAZZWPGEFU-LSYYVWMOSA-N
MW524.71 g/mol
LogP5.52
Rot. Bonds10

About N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide

N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 135064332) has the molecular formula C28H32N2O4S2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID135064332
Molecular FormulaC28H32N2O4S2
Molecular Weight524.71 g/mol
Exact Mass524.18
IUPAC NameN-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)[C@]1(CCSC)N=C(c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C28H32N2O4S2/c1-5-25(30-36(32,33)24-14-12-20(13-15-24)19(2)3)28(16-17-35-4)27(31)34-26(29-28)23-11-10-21-8-6-7-9-22(21)18-23/h6-15,18-19,25,30H,5,16-17H2,1-4H3/t25-,28-/m0/s1
InChIKeyCBEAHAZZWPGEFU-LSYYVWMOSA-N
XLogP5.52
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 102173782
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
(2R)-4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
CID 2055040
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
N-[(S)-(4-bromophenyl)-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 139037997
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide (CID 135064332) is N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)[C@]1(CCSC)N=C(c2ccc3ccccc3c2)OC1=O.
What is the InChIKey of N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CBEAHAZZWPGEFU-LSYYVWMOSA-N. The full InChI is InChI=1S/C28H32N2O4S2/c1-5-25(30-36(32,33)24-14-12-20(13-15-24)19(2)3)28(16-17-35-4)27(31)34-26(29-28)23-11-10-21-8-6-7-9-22(21)18-23/h6-15,18-19,25,30H,5,16-17H2,1-4H3/t25-,28-/m0/s1.
What are the key properties of N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide?
N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 524.71 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(4S)-4-(2-methylsulfanylethyl)-2-naphthalen-2-yl-5-oxo-1,3-oxazol-4-yl]propyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 135064332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).