2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C22H27N3OS — CID 46052846

IUPAC2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCC3)n2C(C)c2ccccc2)s1
InChIInChI=1S/C22H27N3OS/c1-16-14-19-21(27-16)15-20(22(26)23-10-13-24-11-6-7-12-24)25(19)17(2)18-8-4-3-5-9-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,23,26)
InChIKeyHNOIFMGIVHAIRT-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.45
Rot. Bonds6

About 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46052846) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46052846
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCC3)n2C(C)c2ccccc2)s1
InChIInChI=1S/C22H27N3OS/c1-16-14-19-21(27-16)15-20(22(26)23-10-13-24-11-6-7-12-24)25(19)17(2)18-8-4-3-5-9-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,23,26)
InChIKeyHNOIFMGIVHAIRT-UHFFFAOYSA-N
XLogP4.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46052846) is 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2C(C)c2ccccc2)s1.
What is the InChIKey of 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HNOIFMGIVHAIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-16-14-19-21(27-16)15-20(22(26)23-10-13-24-11-6-7-12-24)25(19)17(2)18-8-4-3-5-9-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46052846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).