N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C16H23NO3S — CID 107301824

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NCC2(O)CCOC2C)c1
InChIInChI=1S/C16H23NO3S/c1-12-4-3-5-14(8-12)9-21-10-15(18)17-11-16(19)6-7-20-13(16)2/h3-5,8,13,19H,6-7,9-11H2,1-2H3,(H,17,18)
InChIKeySFRRRFRDTCTAKE-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.88
Rot. Bonds6

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 107301824) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID107301824
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NCC2(O)CCOC2C)c1
InChIInChI=1S/C16H23NO3S/c1-12-4-3-5-14(8-12)9-21-10-15(18)17-11-16(19)6-7-20-13(16)2/h3-5,8,13,19H,6-7,9-11H2,1-2H3,(H,17,18)
InChIKeySFRRRFRDTCTAKE-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
N-[3-(methylamino)propyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119432009
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 107302243
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64889000
2-[(3-methylphenyl)methylsulfanyl]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914560
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120946086
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
2-[(4-bromophenyl)methylsulfanyl]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2972921
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929244

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 107301824) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NCC2(O)CCOC2C)c1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is SFRRRFRDTCTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-4-3-5-14(8-12)9-21-10-15(18)17-11-16(19)6-7-20-13(16)2/h3-5,8,13,19H,6-7,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 309.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 107301824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).