2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C15H21NO4S2 — CID 50975572

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(Cc1sccc1C)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C15H21NO4S2/c1-12-3-7-21-14(12)10-16(5-6-20-2)15(17)9-13-4-8-22(18,19)11-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyMQRXOCZSZPINKG-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.98
Rot. Bonds7

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 50975572) has the molecular formula C15H21NO4S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID50975572
Molecular FormulaC15H21NO4S2
Molecular Weight343.47 g/mol
Exact Mass343.09
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCCN(Cc1sccc1C)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C15H21NO4S2/c1-12-3-7-21-14(12)10-16(5-6-20-2)15(17)9-13-4-8-22(18,19)11-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyMQRXOCZSZPINKG-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46996185
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 50955298
N-butyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxooxolan-3-yl)propanamide
CID 50970251
1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126447689
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopropanecarboxamide
CID 3586121
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 42776528
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3494368
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
N-benzyl-2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4687290
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
3,5-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4118603
2-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46988014

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 50975572) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is COCCN(Cc1sccc1C)C(=O)CC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MQRXOCZSZPINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S2/c1-12-3-7-21-14(12)10-16(5-6-20-2)15(17)9-13-4-8-22(18,19)11-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 50975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).