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

C21H29N3O4S — CID 3831348

IUPACN-[4-[4-(4-methyl-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)OCC3C)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-14(2)29-13-19(25)22-17-6-4-16(5-7-17)20(26)23-10-8-18(9-11-23)24-15(3)12-28-21(24)27/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25)
InChIKeyWKLYKSBKMQUCDE-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.21
Rot. Bonds6

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

N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 3831348) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
PubChem CID3831348
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-[4-(4-methyl-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)OCC3C)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-14(2)29-13-19(25)22-17-6-4-16(5-7-17)20(26)23-10-8-18(9-11-23)24-15(3)12-28-21(24)27/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25)
InChIKeyWKLYKSBKMQUCDE-UHFFFAOYSA-N
XLogP3.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
ethyl (4S)-2-oxo-3-[1-[4-[(2-propan-2-ylsulfanylacetyl)amino]benzoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74228363
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 170860689
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
3-[1-[2-(2-chloro-4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 3770594
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide (CID 3831348) is N-[4-[4-(4-methyl-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-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-[4-(4-methyl-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)OCC3C)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is WKLYKSBKMQUCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-14(2)29-13-19(25)22-17-6-4-16(5-7-17)20(26)23-10-8-18(9-11-23)24-15(3)12-28-21(24)27/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide?
N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 419.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 3831348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).