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

C14H20N2O2S — CID 115323761

IUPACN-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H20N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h7,11,15H,1-6,8-9H2,(H,16,17)
InChIKeyWXPBDLDVCGZCTL-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.35
Rot. Bonds3

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

N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 115323761) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID115323761
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H20N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h7,11,15H,1-6,8-9H2,(H,16,17)
InChIKeyWXPBDLDVCGZCTL-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 42919476
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
N-[[2-(bromomethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114317527
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 120957836
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
N-[(3-bromocyclopentyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106127943
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2615881
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
N-(3-hydroxypropyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43390164
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 115323761) is N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NCC1CNCCO1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is WXPBDLDVCGZCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(16-9-11-8-15-5-6-18-11)13-7-10-3-1-2-4-12(10)19-13/h7,11,15H,1-6,8-9H2,(H,16,17).
What are the key properties of N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.35, 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)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115323761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).