N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H26N2O2S — CID 24642400

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2Cc3ccccc3S2)C1
InChIInChI=1S/C18H26N2O2S/c1-13(2)11-20-7-8-22-15(12-20)10-19-18(21)17-9-14-5-3-4-6-16(14)23-17/h3-6,13,15,17H,7-12H2,1-2H3,(H,19,21)
InChIKeyRSOQEBHOPCDXOM-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.18
Rot. Bonds5

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24642400) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24642400
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2Cc3ccccc3S2)C1
InChIInChI=1S/C18H26N2O2S/c1-13(2)11-20-7-8-22-15(12-20)10-19-18(21)17-9-14-5-3-4-6-16(14)23-17/h3-6,13,15,17H,7-12H2,1-2H3,(H,19,21)
InChIKeyRSOQEBHOPCDXOM-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115323700
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369115
(3S)-2-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934493
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide
CID 52502865
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
CID 75460640
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24642400) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CC(C)CN1CCOC(CNC(=O)C2Cc3ccccc3S2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is RSOQEBHOPCDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13(2)11-20-7-8-22-15(12-20)10-19-18(21)17-9-14-5-3-4-6-16(14)23-17/h3-6,13,15,17H,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24642400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).