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

C22H26N2O4S — CID 3225333

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc3sccc3n2C)c(OC)c1
InChIInChI=1S/C22H26N2O4S/c1-23-18-8-10-29-21(18)12-19(23)22(25)24(14-17-5-4-9-28-17)13-15-6-7-16(26-2)11-20(15)27-3/h6-8,10-12,17H,4-5,9,13-14H2,1-3H3
InChIKeySYYLQWBPASJVID-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.08
Rot. Bonds7

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

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225333) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225333
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc3sccc3n2C)c(OC)c1
InChIInChI=1S/C22H26N2O4S/c1-23-18-8-10-29-21(18)12-19(23)22(25)24(14-17-5-4-9-28-17)13-15-6-7-16(26-2)11-20(15)27-3/h6-8,10-12,17H,4-5,9,13-14H2,1-3H3
InChIKeySYYLQWBPASJVID-UHFFFAOYSA-N
XLogP4.08
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225333) is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(CN(CC2CCCO2)C(=O)c2cc3sccc3n2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SYYLQWBPASJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-23-18-8-10-29-21(18)12-19(23)22(25)24(14-17-5-4-9-28-17)13-15-6-7-16(26-2)11-20(15)27-3/h6-8,10-12,17H,4-5,9,13-14H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).