N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C20H21N5O2S — CID 120877842

IUPACN-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H21N5O2S/c1-24-10-9-22-18(24)16-13-21-8-11-25(16)20(27)14-4-6-15(7-5-14)23-19(26)17-3-2-12-28-17/h2-7,9-10,12,16,21H,8,11,13H2,1H3,(H,23,26)
InChIKeyUQUUNZSHXBQFLC-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.52
Rot. Bonds4

About N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 120877842) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID120877842
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H21N5O2S/c1-24-10-9-22-18(24)16-13-21-8-11-25(16)20(27)14-4-6-15(7-5-14)23-19(26)17-3-2-12-28-17/h2-7,9-10,12,16,21H,8,11,13H2,1H3,(H,23,26)
InChIKeyUQUUNZSHXBQFLC-UHFFFAOYSA-N
XLogP2.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 120879428
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 120877842) is N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is Cn1ccnc1C1CNCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UQUUNZSHXBQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-24-10-9-22-18(24)16-13-21-8-11-25(16)20(27)14-4-6-15(7-5-14)23-19(26)17-3-2-12-28-17/h2-7,9-10,12,16,21H,8,11,13H2,1H3,(H,23,26).
What are the key properties of N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 120877842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).