N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

C20H18N2OS2 — CID 656222

IUPACN-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cc2sccc21
InChIInChI=1S/C20H18N2OS2/c1-21-17-9-11-25-19(17)12-18(21)20(23)22(14-16-8-5-10-24-16)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyDOXQZJLWXCAISC-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.14
Rot. Bonds5

About N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 656222) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID656222
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC NameN-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cc2sccc21
InChIInChI=1S/C20H18N2OS2/c1-21-17-9-11-25-19(17)12-18(21)20(23)22(14-16-8-5-10-24-16)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyDOXQZJLWXCAISC-UHFFFAOYSA-N
XLogP5.14
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 656222) is N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cc2sccc21.
What is the InChIKey of N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DOXQZJLWXCAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c1-21-17-9-11-25-19(17)12-18(21)20(23)22(14-16-8-5-10-24-16)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 656222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).