2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide

C15H21NO2S2 — CID 90584295

IUPAC2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C15H21NO2S2/c1-3-20-13-7-5-4-6-12(13)14(17)16-10-15(18-2)8-9-19-11-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAHRFJPDGNCLGQO-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.05
Rot. Bonds6

About 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide

2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide (PubChem CID 90584295) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
PubChem CID90584295
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC Name2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C15H21NO2S2/c1-3-20-13-7-5-4-6-12(13)14(17)16-10-15(18-2)8-9-19-11-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAHRFJPDGNCLGQO-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 97414576
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
CID 90584234
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342
N-[(4-methoxythian-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 146078301
N-[(3-methoxythiolan-3-yl)methyl]-3-nitrobenzamide
CID 90584271

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide (CID 90584295) is 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide is CCSc1ccccc1C(=O)NCC1(OC)CCSC1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide?
The InChIKey is AHRFJPDGNCLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S2/c1-3-20-13-7-5-4-6-12(13)14(17)16-10-15(18-2)8-9-19-11-15/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide?
2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide has a molecular weight of 311.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide is sourced from PubChem (CID 90584295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).