[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C20H22N2OS — CID 92987278

IUPAC[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCC3)n2[C@H](C)c2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c1-14-12-17-19(24-14)13-18(20(23)21-10-6-7-11-21)22(17)15(2)16-8-4-3-5-9-16/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFXYOHBLKJCFWNS-OAHLLOKOSA-N
MW338.48 g/mol
LogP4.86
Rot. Bonds3

About [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 92987278) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID92987278
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCC3)n2[C@H](C)c2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c1-14-12-17-19(24-14)13-18(20(23)21-10-6-7-11-21)22(17)15(2)16-8-4-3-5-9-16/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFXYOHBLKJCFWNS-OAHLLOKOSA-N
XLogP4.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3R)-1-[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 92987285
2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46052846
[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42797249
N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 92987288
[2-methyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039472
[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7216984
ethyl (3R)-1-(4-benzyl-2-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxylate
CID 93327512
azepan-1-yl-[1-[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]piperidin-4-yl]methanone
CID 78871336
2-[4-[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870638
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 92987278) is [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is Cc1cc2c(cc(C(=O)N3CCCC3)n2[C@H](C)c2ccccc2)s1.
What is the InChIKey of [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FXYOHBLKJCFWNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-14-12-17-19(24-14)13-18(20(23)21-10-6-7-11-21)22(17)15(2)16-8-4-3-5-9-16/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.48 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).