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

C15H21NO3S — CID 91956438

IUPAC3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)sc2c1CCCC2
InChIInChI=1S/C15H21NO3S/c1-18-13-11-6-2-3-7-12(11)20-14(13)15(17)16-9-10-5-4-8-19-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyVFKFTGAPAHAZAB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.54
Rot. Bonds4

About 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 91956438) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID91956438
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)sc2c1CCCC2
InChIInChI=1S/C15H21NO3S/c1-18-13-11-6-2-3-7-12(11)20-14(13)15(17)16-9-10-5-4-8-19-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyVFKFTGAPAHAZAB-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18848619
N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 100815248
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
2-[[2-(5-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18860840
2-[(3,4-dimethoxybenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6559363
3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956409
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
N-[3-(dimethylamino)propyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956538
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43843651
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 91956438) is 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1c(C(=O)NCC2CCCO2)sc2c1CCCC2.
What is the InChIKey of 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is VFKFTGAPAHAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-18-13-11-6-2-3-7-12(11)20-14(13)15(17)16-9-10-5-4-8-19-10/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91956438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).