4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

C25H25N3O3S — CID 118913747

IUPAC4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2COc2ccc(OC3CCNC3)cc2)cc2sccc21
InChIInChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29)
InChIKeyCMAZUZORDXKXGI-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.81
Rot. Bonds7

About 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 118913747) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID118913747
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2COc2ccc(OC3CCNC3)cc2)cc2sccc21
InChIInChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29)
InChIKeyCMAZUZORDXKXGI-UHFFFAOYSA-N
XLogP4.81
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 118913747) is 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccccc2COc2ccc(OC3CCNC3)cc2)cc2sccc21.
What is the InChIKey of 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CMAZUZORDXKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29).
What are the key properties of 4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.81, 7 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-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 118913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).