N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C17H25NO2S — CID 102866623

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C17H25NO2S/c1-14-5-2-6-15(11-14)12-21-13-17(20)18(9-4-10-19)16-7-3-8-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3
InChIKeyBBXCPOBDVFHWQH-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.99
Rot. Bonds8

About N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 102866623) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID102866623
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C17H25NO2S/c1-14-5-2-6-15(11-14)12-21-13-17(20)18(9-4-10-19)16-7-3-8-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3
InChIKeyBBXCPOBDVFHWQH-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 60845413
2-[cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetic acid
CID 60825973
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134013781
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
3-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 60989313
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 115759947
1-(azepan-1-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60634792
N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
CID 28632690
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
(2S)-N-cyclohexyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 100608397
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 102866623) is N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is BBXCPOBDVFHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-14-5-2-6-15(11-14)12-21-13-17(20)18(9-4-10-19)16-7-3-8-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 102866623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).