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

C20H24N2OS — CID 92987255

IUPAC2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCC(C)C)n2[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C20H24N2OS/c1-13(2)12-21-20(23)18-11-19-17(10-14(3)24-19)22(18)15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyGYTHAGWLINVRAG-HNNXBMFYSA-N
MW340.49 g/mol
LogP5.01
Rot. Bonds5

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

2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 92987255) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID92987255
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCC(C)C)n2[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C20H24N2OS/c1-13(2)12-21-20(23)18-11-19-17(10-14(3)24-19)22(18)15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyGYTHAGWLINVRAG-HNNXBMFYSA-N
XLogP5.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 92987255) is 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCC(C)C)n2[C@@H](C)c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GYTHAGWLINVRAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-13(2)12-21-20(23)18-11-19-17(10-14(3)24-19)22(18)15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-4-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 92987255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).