N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C14H18N2O2S — CID 115323700

IUPACN-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CNCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyGSTCYQQVQCOTAB-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.81
Rot. Bonds3

About N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 115323700) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID115323700
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CNCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyGSTCYQQVQCOTAB-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103548426
N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119536021
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
(2R)-N-(morpholin-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 103840837
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 115323700) is N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCC1CNCCO1)C1Cc2ccccc2S1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is GSTCYQQVQCOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17).
What are the key properties of N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115323700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).