N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C25H27N3O3S — CID 31718704

IUPACN-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C25H27N3O3S/c1-18-5-10-22(31-2)20(16-18)17-27-11-13-28(14-12-27)25(30)19-6-8-21(9-7-19)26-24(29)23-4-3-15-32-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,26,29)
InChIKeyYMZAIWPBNUSUQE-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 31718704) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID31718704
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C25H27N3O3S/c1-18-5-10-22(31-2)20(16-18)17-27-11-13-28(14-12-27)25(30)19-6-8-21(9-7-19)26-24(29)23-4-3-15-32-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,26,29)
InChIKeyYMZAIWPBNUSUQE-UHFFFAOYSA-N
XLogP4.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 78801385
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 31559920
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997168
N-[4-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 47093375
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 31792217
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 31718704) is N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YMZAIWPBNUSUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-18-5-10-22(31-2)20(16-18)17-27-11-13-28(14-12-27)25(30)19-6-8-21(9-7-19)26-24(29)23-4-3-15-32-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31718704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).