N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C15H19NO3S — CID 10017280

IUPACN-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2ccc(OC)cc2c1OC(C)C
InChIInChI=1S/C15H19NO3S/c1-5-16-15(17)14-13(19-9(2)3)11-8-10(18-4)6-7-12(11)20-14/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyTUIJQUAIAIIICR-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 10017280) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID10017280
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2ccc(OC)cc2c1OC(C)C
InChIInChI=1S/C15H19NO3S/c1-5-16-15(17)14-13(19-9(2)3)11-8-10(18-4)6-7-12(11)20-14/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyTUIJQUAIAIIICR-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
CID 461195
2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
3-Methoxybenzyl 3-(Piperidin-4-Yloxy)-1-Benzothiophene-2-Carboxylate
CID 70678410
3-Isopropoxy-5-methoxybenzo(b)thiophene-2-carboxamide
CID 128677
9-methoxy-3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]oxazepin-5-one
CID 512548
N,5-dimethoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 58047131
N-[2-(5-propoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 44359479
3-Methoxy-5,6,7,8-tetrahydro-10-thia-8-aza-benzo[a]azulen-9-one
CID 45271879
N-(3-Fluorobenzyl)-5-methoxy-N-methylbenzo[b]thiophene-2-carboxamide
CID 129897084
5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 137635339
N-benzyl-5-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 137648707
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-1-benzothiophen-2-yl)methanone
CID 137652255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 10017280) is N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is CCNC(=O)c1sc2ccc(OC)cc2c1OC(C)C.
What is the InChIKey of N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is TUIJQUAIAIIICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-5-16-15(17)14-13(19-9(2)3)11-8-10(18-4)6-7-12(11)20-14/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10017280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).