3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 107932303

IUPAC3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCC3CCCO3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-13-12(9-10)14(17)15(21-13)16(19)18-7-6-11-3-2-8-20-11/h4-5,9,11H,2-3,6-8,17H2,1H3,(H,18,19)
InChIKeyCOMXILUTFCMLDL-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 107932303) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID107932303
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCC3CCCO3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-13-12(9-10)14(17)15(21-13)16(19)18-7-6-11-3-2-8-20-11/h4-5,9,11H,2-3,6-8,17H2,1H3,(H,18,19)
InChIKeyCOMXILUTFCMLDL-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 107932175
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 95629166

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 107932303) is 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NCCC3CCCO3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is COMXILUTFCMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-4-5-13-12(9-10)14(17)15(21-13)16(19)18-7-6-11-3-2-8-20-11/h4-5,9,11H,2-3,6-8,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).