N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide

C16H23NO2S — CID 95169060

IUPACN-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
SMILESCc1ccc(C)c(C[S@@](=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23NO2S/c1-12-7-8-13(2)14(9-12)10-20(19)11-16(18)17-15-5-3-4-6-15/h7-9,15H,3-6,10-11H2,1-2H3,(H,17,18)/t20-/m1/s1
InChIKeyQMMJYMKEEMHERW-HXUWFJFHSA-N
MW293.43 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide

N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide (PubChem CID 95169060) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
PubChem CID95169060
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
SMILESCc1ccc(C)c(C[S@@](=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23NO2S/c1-12-7-8-13(2)14(9-12)10-20(19)11-16(18)17-15-5-3-4-6-15/h7-9,15H,3-6,10-11H2,1-2H3,(H,17,18)/t20-/m1/s1
InChIKeyQMMJYMKEEMHERW-HXUWFJFHSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-(2,5-dimethylphenyl)methylsulfinyl]acetic acid
CID 94208367
2-[(2,5-dimethylphenyl)methylsulfinyl]acetic acid
CID 61481698
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548269
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169267

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide (CID 95169060) is N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide is Cc1ccc(C)c(C[S@@](=O)CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide?
The InChIKey is QMMJYMKEEMHERW-HXUWFJFHSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12-7-8-13(2)14(9-12)10-20(19)11-16(18)17-15-5-3-4-6-15/h7-9,15H,3-6,10-11H2,1-2H3,(H,17,18)/t20-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide?
N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 95169060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).