N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

C22H24N2O2S — CID 42797275

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NC2CC3CCC2C3)cc2ccsc21
InChIInChI=1S/C22H24N2O2S/c1-26-20-5-3-2-4-17(20)13-24-19(12-16-8-9-27-22(16)24)21(25)23-18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyHXWXQVDJNNGLDV-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.68
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797275) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42797275
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NC2CC3CCC2C3)cc2ccsc21
InChIInChI=1S/C22H24N2O2S/c1-26-20-5-3-2-4-17(20)13-24-19(12-16-8-9-27-22(16)24)21(25)23-18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyHXWXQVDJNNGLDV-UHFFFAOYSA-N
XLogP4.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 7297153
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109904
1-[(2S)-4-[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 93071090
N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797267
(4-fluorophenyl)-[(2R)-4-[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]methanone
CID 93117126
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254
N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42879190
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867504

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (CID 42797275) is N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is COc1ccccc1Cn1c(C(=O)NC2CC3CCC2C3)cc2ccsc21.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is HXWXQVDJNNGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-26-20-5-3-2-4-17(20)13-24-19(12-16-8-9-27-22(16)24)21(25)23-18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11,13H2,1H3,(H,23,25).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).