N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

C21H24N2O2S — CID 42797267

IUPACN-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC3CCCCC3)cc3ccsc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-18-9-7-15(8-10-18)14-23-19(13-16-11-12-26-21(16)23)20(24)22-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,22,24)
InChIKeySTCJAAXZMAVQCM-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.82
Rot. Bonds5

About N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797267) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42797267
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC3CCCCC3)cc3ccsc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-18-9-7-15(8-10-18)14-23-19(13-16-11-12-26-21(16)23)20(24)22-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,22,24)
InChIKeySTCJAAXZMAVQCM-UHFFFAOYSA-N
XLogP4.82
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
N-cyclohexyl-1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 50830813
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
CID 148872501
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
ethyl 6-[2-(cyclopropylamino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032969
N-cycloheptyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270576

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (CID 42797267) is N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NC3CCCCC3)cc3ccsc32)cc1.
What is the InChIKey of N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is STCJAAXZMAVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-25-18-9-7-15(8-10-18)14-23-19(13-16-11-12-26-21(16)23)20(24)22-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,22,24).
What are the key properties of N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).