N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide

C27H33N3O4S — CID 3854247

IUPACN-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H33N3O4S/c1-19(2)35-18-25(31)28-22-10-8-21(9-11-22)26(32)29-14-12-23(13-15-29)30-24(17-34-27(30)33)16-20-6-4-3-5-7-20/h3-11,19,23-24H,12-18H2,1-2H3,(H,28,31)
InChIKeyRJDIPKVQAXGWDA-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.43
Rot. Bonds8

About N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide

N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 3854247) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
PubChem CID3854247
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC NameN-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H33N3O4S/c1-19(2)35-18-25(31)28-22-10-8-21(9-11-22)26(32)29-14-12-23(13-15-29)30-24(17-34-27(30)33)16-20-6-4-3-5-7-20/h3-11,19,23-24H,12-18H2,1-2H3,(H,28,31)
InChIKeyRJDIPKVQAXGWDA-UHFFFAOYSA-N
XLogP4.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3831348
ethyl (4S)-2-oxo-3-[1-[4-[(2-propan-2-ylsulfanylacetyl)amino]benzoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74228363
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3712584
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
CID 23904126
(4R)-4-benzyl-3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23989316
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
4-benzyl-3-[1-[2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3758363

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide (CID 3854247) is N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)OCC3Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is RJDIPKVQAXGWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-19(2)35-18-25(31)28-22-10-8-21(9-11-22)26(32)29-14-12-23(13-15-29)30-24(17-34-27(30)33)16-20-6-4-3-5-7-20/h3-11,19,23-24H,12-18H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 495.65 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 3854247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).