N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

C19H22N2O2S — CID 127040045

IUPACN,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2sccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2S/c1-4-20(5-2)19(22)17-12-18-16(10-11-24-18)21(17)13-14-6-8-15(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyVAOOLMZTFAYDOE-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.24
Rot. Bonds6

About N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 127040045) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID127040045
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2sccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2S/c1-4-20(5-2)19(22)17-12-18-16(10-11-24-18)21(17)13-14-6-8-15(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyVAOOLMZTFAYDOE-UHFFFAOYSA-N
XLogP4.24
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225203
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 127038782
N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 51048620
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038839
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052185

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 127040045) is N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is CCN(CC)C(=O)c1cc2sccc2n1Cc1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is VAOOLMZTFAYDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-20(5-2)19(22)17-12-18-16(10-11-24-18)21(17)13-14-6-8-15(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 127040045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).