2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide

C18H22N2O4S — CID 100706838

IUPAC2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c21-16(12-25-14-8-4-5-9-14)19-15(13-6-2-1-3-7-13)10-20-17(22)11-24-18(20)23/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,21)/t15-/m1/s1
InChIKeyWDCJDADHMQUDPL-OAHLLOKOSA-N
MW362.45 g/mol
LogP2.50
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide

2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide (PubChem CID 100706838) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
PubChem CID100706838
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c21-16(12-25-14-8-4-5-9-14)19-15(13-6-2-1-3-7-13)10-20-17(22)11-24-18(20)23/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,21)/t15-/m1/s1
InChIKeyWDCJDADHMQUDPL-OAHLLOKOSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 100706732
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
CID 117055084
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91630056
3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
CID 91630060
3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
CID 100707479
2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 2573745
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
CID 9342283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide (CID 100706838) is 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide is O=C(CSC1CCCC1)N[C@H](CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide?
The InChIKey is WDCJDADHMQUDPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-16(12-25-14-8-4-5-9-14)19-15(13-6-2-1-3-7-13)10-20-17(22)11-24-18(20)23/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide?
2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 100706838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).