6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C19H23N3O2S — CID 53139911

IUPAC6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-11-8-13(24-5)6-7-15(11)21-19(23)17-14(10-22(3)4)18-16(20-17)9-12(2)25-18/h6-9,20H,10H2,1-5H3,(H,21,23)
InChIKeyMFPRWNLUJSOXBZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.17
Rot. Bonds5

About 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139911) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139911
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-11-8-13(24-5)6-7-15(11)21-19(23)17-14(10-22(3)4)18-16(20-17)9-12(2)25-18/h6-9,20H,10H2,1-5H3,(H,21,23)
InChIKeyMFPRWNLUJSOXBZ-UHFFFAOYSA-N
XLogP4.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139870
N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139853
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
N-(4-methoxy-2-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717918

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139911) is 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c(C)c1.
What is the InChIKey of 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MFPRWNLUJSOXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-8-13(24-5)6-7-15(11)21-19(23)17-14(10-22(3)4)18-16(20-17)9-12(2)25-18/h6-9,20H,10H2,1-5H3,(H,21,23).
What are the key properties of 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).