N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C18H18N2O3S — CID 3239261

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O3S/c1-11(12-3-4-15-16(9-12)23-7-6-22-15)19-18(21)14-10-17-13(20(14)2)5-8-24-17/h3-5,8-11H,6-7H2,1-2H3,(H,19,21)
InChIKeyRDHFVRLYSQBAEY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.50
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3239261) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3239261
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O3S/c1-11(12-3-4-15-16(9-12)23-7-6-22-15)19-18(21)14-10-17-13(20(14)2)5-8-24-17/h3-5,8-11H,6-7H2,1-2H3,(H,19,21)
InChIKeyRDHFVRLYSQBAEY-UHFFFAOYSA-N
XLogP3.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 9550710
4-Methyl-~{n}-[2-[[4-[[(3~{r})-Pyrrolidin-3-Yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913652
4-Methyl-~{n}-[2-[[4-(1-Methylpiperidin-4-Yl)oxyphenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913699
4-Methyl-N-[4-[[4-[(1-Methyl-4-Piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913697
Methyl trans-4-(4-(2-(ethyl(3-methoxyphenyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (26)
CID 124155062
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 3241707
N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 9550375
N-[2-(3,4-diethoxyphenyl)ethyl]-4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 46916308
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
CID 46916320
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-5-thieno[3,2-b]pyrrolecarboxamide
CID 46947845
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46947850
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46947852

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3239261) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is RDHFVRLYSQBAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(12-3-4-15-16(9-12)23-7-6-22-15)19-18(21)14-10-17-13(20(14)2)5-8-24-17/h3-5,8-11H,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3239261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).