2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide

C23H25N3O3S — CID 86963602

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)c3ccccc3SCC(=O)N(C)C)cc2)o1
InChIInChI=1S/C23H25N3O3S/c1-15(2)19-13-24-23(29-19)16-9-11-17(12-10-16)25-22(28)18-7-5-6-8-20(18)30-14-21(27)26(3)4/h5-13,15H,14H2,1-4H3,(H,25,28)
InChIKeyPYNRIDRQOOLXDT-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.90
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 86963602) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID86963602
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)c3ccccc3SCC(=O)N(C)C)cc2)o1
InChIInChI=1S/C23H25N3O3S/c1-15(2)19-13-24-23(29-19)16-9-11-17(12-10-16)25-22(28)18-7-5-6-8-20(18)30-14-21(27)26(3)4/h5-13,15H,14H2,1-4H3,(H,25,28)
InChIKeyPYNRIDRQOOLXDT-UHFFFAOYSA-N
XLogP4.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide with MolForge

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 51289033
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392
1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 111463122
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066622
S-[4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529745
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 92614894
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide (CID 86963602) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide is CC(C)c1cnc(-c2ccc(NC(=O)c3ccccc3SCC(=O)N(C)C)cc2)o1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is PYNRIDRQOOLXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15(2)19-13-24-23(29-19)16-9-11-17(12-10-16)25-22(28)18-7-5-6-8-20(18)30-14-21(27)26(3)4/h5-13,15H,14H2,1-4H3,(H,25,28).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 86963602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).