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

C16H14N2O3S — CID 654316

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2sccc21
InChIInChI=1S/C16H14N2O3S/c1-18-11-4-7-22-15(11)9-12(18)16(19)17-10-2-3-13-14(8-10)21-6-5-20-13/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyGALZBNGVPMGKTI-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.26
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 654316) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID654316
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2sccc21
InChIInChI=1S/C16H14N2O3S/c1-18-11-4-7-22-15(11)9-12(18)16(19)17-10-2-3-13-14(8-10)21-6-5-20-13/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyGALZBNGVPMGKTI-UHFFFAOYSA-N
XLogP3.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-benzyl-N-[2-(3,4-diethoxy-2-fluorophenyl)ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 70789726
4-benzyl-N-[2-[3,4-bis(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 70789729
4-benzyl-N-[2-[3,4-di(propan-2-yloxy)phenyl]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 70789732
4-benzyl-N-[2-(3,4-diethoxyphenyl)ethyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 70789737

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 654316) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2sccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GALZBNGVPMGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-18-11-4-7-22-15(11)9-12(18)16(19)17-10-2-3-13-14(8-10)21-6-5-20-13/h2-4,7-9H,5-6H2,1H3,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 654316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).