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

C14H19NO2S — CID 3240379

IUPACN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1csc2c1CCCC2
InChIInChI=1S/C14H19NO2S/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h9-10H,1-8H2,(H,15,16)
InChIKeyQPCQTHBRCJSMKP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.54
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3240379) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3240379
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1csc2c1CCCC2
InChIInChI=1S/C14H19NO2S/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h9-10H,1-8H2,(H,15,16)
InChIKeyQPCQTHBRCJSMKP-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 97332681
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394066
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118780245
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118786163
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
2-[[(2R)-oxolan-2-yl]methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 40951021
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3240379) is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NCC1CCCO1)c1csc2c1CCCC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is QPCQTHBRCJSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h9-10H,1-8H2,(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3240379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).