4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide

C22H26N2O2S — CID 46156458

IUPAC4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2sc(C)cc2n1CC1CCC1
InChIInChI=1S/C22H26N2O2S/c1-15-12-18-21(27-15)13-19(24(18)14-16-6-5-7-16)22(25)23-11-10-17-8-3-4-9-20(17)26-2/h3-4,8-9,12-13,16H,5-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyPCKDHFCBMIDIGN-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.79
Rot. Bonds7

About 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide

4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46156458) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46156458
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2sc(C)cc2n1CC1CCC1
InChIInChI=1S/C22H26N2O2S/c1-15-12-18-21(27-15)13-19(24(18)14-16-6-5-7-16)22(25)23-11-10-17-8-3-4-9-20(17)26-2/h3-4,8-9,12-13,16H,5-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyPCKDHFCBMIDIGN-UHFFFAOYSA-N
XLogP4.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327476
4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848744
4-(cyclobutylmethyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039785
N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039236
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 46156458) is 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1ccccc1CCNC(=O)c1cc2sc(C)cc2n1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PCKDHFCBMIDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15-12-18-21(27-15)13-19(24(18)14-16-6-5-7-16)22(25)23-11-10-17-8-3-4-9-20(17)26-2/h3-4,8-9,12-13,16H,5-7,10-11,14H2,1-2H3,(H,23,25).
What are the key properties of 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46156458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).