5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C15H21NO2S — CID 17191141

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NCC3CCCO3)cc2C1
InChIInChI=1S/C15H21NO2S/c1-10-4-5-13-11(7-10)8-14(19-13)15(17)16-9-12-3-2-6-18-12/h8,10,12H,2-7,9H2,1H3,(H,16,17)
InChIKeyFNFJHNKASSAHNU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.78
Rot. Bonds3

About 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 17191141) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID17191141
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NCC3CCCO3)cc2C1
InChIInChI=1S/C15H21NO2S/c1-10-4-5-13-11(7-10)8-14(19-13)15(17)16-9-12-3-2-6-18-12/h8,10,12H,2-7,9H2,1H3,(H,16,17)
InChIKeyFNFJHNKASSAHNU-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4107004
1-[(5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 16554084
N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
5-Ethyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-2-carboxamide
CID 25163640
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 6467856
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
4,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
CID 19585414
4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 24684648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 17191141) is 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)NCC3CCCO3)cc2C1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is FNFJHNKASSAHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-4-5-13-11(7-10)8-14(19-13)15(17)16-9-12-3-2-6-18-12/h8,10,12H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).