N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride

C20H22ClN3O2S — CID 67577428

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride
SMILESCc1nccn1-c1ccc(NC(=O)C2CCOC(c3cccs3)C2)cc1.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-14-21-9-10-23(14)17-6-4-16(5-7-17)22-20(24)15-8-11-25-18(13-15)19-3-2-12-26-19;/h2-7,9-10,12,15,18H,8,11,13H2,1H3,(H,22,24);1H
InChIKeyCBBNEZYZOGDHSW-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride

N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride (PubChem CID 67577428) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride
PubChem CID67577428
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride
SMILESCc1nccn1-c1ccc(NC(=O)C2CCOC(c3cccs3)C2)cc1.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-14-21-9-10-23(14)17-6-4-16(5-7-17)22-20(24)15-8-11-25-18(13-15)19-3-2-12-26-19;/h2-7,9-10,12,15,18H,8,11,13H2,1H3,(H,22,24);1H
InChIKeyCBBNEZYZOGDHSW-UHFFFAOYSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride 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

(5R,7R)-N-[4-(2-methylimidazol-1-yl)phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135896294
(5S,7S)-N-[4-(2-methylimidazol-1-yl)phenyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135896293
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
CID 122291873
5-(4-fluorophenyl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolidine-3-carboxamide
CID 85498687
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45217335
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 125166653
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride (CID 67577428) is N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride is Cc1nccn1-c1ccc(NC(=O)C2CCOC(c3cccs3)C2)cc1.Cl.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride?
The InChIKey is CBBNEZYZOGDHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.ClH/c1-14-21-9-10-23(14)17-6-4-16(5-7-17)22-20(24)15-8-11-25-18(13-15)19-3-2-12-26-19;/h2-7,9-10,12,15,18H,8,11,13H2,1H3,(H,22,24);1H.
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride?
N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 67577428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).