2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide

C16H18N2OS — CID 90649184

IUPAC2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
SMILESO=C(CSCC1CC1)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2OS/c19-16(11-20-10-12-5-6-12)17-9-14-8-7-13-3-1-2-4-15(13)18-14/h1-4,7-8,12H,5-6,9-11H2,(H,17,19)
InChIKeyYHQHPWAOIJXUAN-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.99
Rot. Bonds6

About 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide

2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide (PubChem CID 90649184) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
PubChem CID90649184
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
SMILESO=C(CSCC1CC1)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2OS/c19-16(11-20-10-12-5-6-12)17-9-14-8-7-13-3-1-2-4-15(13)18-14/h1-4,7-8,12H,5-6,9-11H2,(H,17,19)
InChIKeyYHQHPWAOIJXUAN-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide (CID 90649184) is 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide is O=C(CSCC1CC1)NCc1ccc2ccccc2n1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide?
The InChIKey is YHQHPWAOIJXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(11-20-10-12-5-6-12)17-9-14-8-7-13-3-1-2-4-15(13)18-14/h1-4,7-8,12H,5-6,9-11H2,(H,17,19).
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide?
2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide is sourced from PubChem (CID 90649184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).