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

C22H21N3OS — CID 46039425

IUPAC4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccccc2)s1
InChIInChI=1S/C22H21N3OS/c1-16-13-19-21(27-16)14-20(25(19)15-17-7-3-2-4-8-17)22(26)24-12-10-18-9-5-6-11-23-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)
InChIKeyURHUVAQGCPMXNX-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.43
Rot. Bonds6

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

4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039425) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039425
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccccc2)s1
InChIInChI=1S/C22H21N3OS/c1-16-13-19-21(27-16)14-20(25(19)15-17-7-3-2-4-8-17)22(26)24-12-10-18-9-5-6-11-23-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)
InChIKeyURHUVAQGCPMXNX-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
3-bromo-4-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040322
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
2-methyl-4-[(3-nitrophenyl)methyl]-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848711
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83287290
2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
CID 46038790
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039425) is 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccccc2)s1.
What is the InChIKey of 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is URHUVAQGCPMXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-16-13-19-21(27-16)14-20(25(19)15-17-7-3-2-4-8-17)22(26)24-12-10-18-9-5-6-11-23-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26).
What are the key properties of 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).