N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide

C15H18N2O2S — CID 75389910

IUPACN-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1(C#N)CCSCC1
InChIInChI=1S/C15H18N2O2S/c1-19-13-5-3-2-4-12(13)10-14(18)17-15(11-16)6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyFGDCKFDEHVBFQB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds4

About N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide

N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 75389910) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID75389910
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1(C#N)CCSCC1
InChIInChI=1S/C15H18N2O2S/c1-19-13-5-3-2-4-12(13)10-14(18)17-15(11-16)6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyFGDCKFDEHVBFQB-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524295
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592214
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
CID 63284741
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide (CID 75389910) is N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1(C#N)CCSCC1.
What is the InChIKey of N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is FGDCKFDEHVBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-13-5-3-2-4-12(13)10-14(18)17-15(11-16)6-8-20-9-7-15/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide?
N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanothian-4-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 75389910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).