4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide

C18H18N4O2S2 — CID 6487946

IUPAC4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCNC(=O)c2cc3sccc3n2C)cc2sccc21
InChIInChI=1S/C18H18N4O2S2/c1-21-11-3-7-25-15(11)9-13(21)17(23)19-5-6-20-18(24)14-10-16-12(22(14)2)4-8-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyGPHBJFZCHIYLHV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 6487946) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID6487946
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCNC(=O)c2cc3sccc3n2C)cc2sccc21
InChIInChI=1S/C18H18N4O2S2/c1-21-11-3-7-25-15(11)9-13(21)17(23)19-5-6-20-18(24)14-10-16-12(22(14)2)4-8-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyGPHBJFZCHIYLHV-UHFFFAOYSA-N
XLogP2.95
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779
4-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3242210
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225249
4-methyl-N-(3-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225230
4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51043033
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
N-(2-cyanoethyl)-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 53015597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 6487946) is 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NCCNC(=O)c2cc3sccc3n2C)cc2sccc21.
What is the InChIKey of 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GPHBJFZCHIYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-21-11-3-7-25-15(11)9-13(21)17(23)19-5-6-20-18(24)14-10-16-12(22(14)2)4-8-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 6487946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).