2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide

C15H18N2OS — CID 115625108

IUPAC2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCC2CCSCC2)cc1
InChIInChI=1S/C15H18N2OS/c16-10-13-3-1-12(2-4-13)9-15(18)17-11-14-5-7-19-8-6-14/h1-4,14H,5-9,11H2,(H,17,18)
InChIKeyRZAJNUOTRNHLJN-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide

2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide (PubChem CID 115625108) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
PubChem CID115625108
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCC2CCSCC2)cc1
InChIInChI=1S/C15H18N2OS/c16-10-13-3-1-12(2-4-13)9-15(18)17-11-14-5-7-19-8-6-14/h1-4,14H,5-9,11H2,(H,17,18)
InChIKeyRZAJNUOTRNHLJN-UHFFFAOYSA-N
XLogP2.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 115626238
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
CID 113264057
4-[3-oxo-3-(thian-4-ylmethylamino)propyl]benzoic acid
CID 119182872
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114942410

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide (CID 115625108) is 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide is N#Cc1ccc(CC(=O)NCC2CCSCC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide?
The InChIKey is RZAJNUOTRNHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-10-13-3-1-12(2-4-13)9-15(18)17-11-14-5-7-19-8-6-14/h1-4,14H,5-9,11H2,(H,17,18).
What are the key properties of 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide?
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 115625108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).