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

C20H25N3O3S — CID 53139908

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)cc1OC
InChIInChI=1S/C20H25N3O3S/c1-12-8-15-19(27-12)14(11-23(2)3)18(22-15)20(24)21-10-13-6-7-16(25-4)17(9-13)26-5/h6-9,22H,10-11H2,1-5H3,(H,21,24)
InChIKeyCVUUQFTYHVFDHW-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.55
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139908) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139908
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)cc1OC
InChIInChI=1S/C20H25N3O3S/c1-12-8-15-19(27-12)14(11-23(2)3)18(22-15)20(24)21-10-13-6-7-16(25-4)17(9-13)26-5/h6-9,22H,10-11H2,1-5H3,(H,21,24)
InChIKeyCVUUQFTYHVFDHW-UHFFFAOYSA-N
XLogP3.55
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27647414
methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55736038
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
3,7-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 1246927
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139908) is N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CVUUQFTYHVFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-12-8-15-19(27-12)14(11-23(2)3)18(22-15)20(24)21-10-13-6-7-16(25-4)17(9-13)26-5/h6-9,22H,10-11H2,1-5H3,(H,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).