4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C14H19NO2S — CID 18160219

IUPAC4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-10-11-4-6-12(7-5-11)14(16)15-9-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyTUPMYPKMVFKTLW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.46
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide

4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 18160219) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID18160219
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-10-11-4-6-12(7-5-11)14(16)15-9-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyTUPMYPKMVFKTLW-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637230
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-[3-(5-acetylthiophen-2-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)benzamide
CID 158158477
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 18160219) is 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide is CSCc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is TUPMYPKMVFKTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18-10-11-4-6-12(7-5-11)14(16)15-9-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 265.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 18160219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).