N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide

C14H16N2O2S — CID 72870610

IUPACN-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCSCC3)ccc2o1
InChIInChI=1S/C14H16N2O2S/c1-10-8-11-9-12(2-3-13(11)18-10)15-14(17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)
InChIKeyUIDPFRYGMSPOMP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.32
Rot. Bonds1

About N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide

N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide (PubChem CID 72870610) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
PubChem CID72870610
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCSCC3)ccc2o1
InChIInChI=1S/C14H16N2O2S/c1-10-8-11-9-12(2-3-13(11)18-10)15-14(17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)
InChIKeyUIDPFRYGMSPOMP-UHFFFAOYSA-N
XLogP3.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
CID 72913425
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
CID 131905130
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246
N-(2-methyl-1-oxoisoquinolin-7-yl)thiomorpholine-4-carboxamide
CID 119053057
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide (CID 72870610) is N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide is Cc1cc2cc(NC(=O)N3CCSCC3)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide?
The InChIKey is UIDPFRYGMSPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-8-11-9-12(2-3-13(11)18-10)15-14(17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide?
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 72870610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).