N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C18H21N3O3S — CID 25331871

IUPACN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)s1
InChIInChI=1S/C18H21N3O3S/c1-13-6-7-16(25-13)18(24)19-12-17(23)21-10-8-20(9-11-21)14-4-2-3-5-15(14)22/h2-7,22H,8-12H2,1H3,(H,19,24)
InChIKeyXHTAWUFYLNVCRX-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.84
Rot. Bonds4

About N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 25331871) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID25331871
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)s1
InChIInChI=1S/C18H21N3O3S/c1-13-6-7-16(25-13)18(24)19-12-17(23)21-10-8-20(9-11-21)14-4-2-3-5-15(14)22/h2-7,22H,8-12H2,1H3,(H,19,24)
InChIKeyXHTAWUFYLNVCRX-UHFFFAOYSA-N
XLogP1.84
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9495522
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
1-(2-Methoxyphenyl)-4-(thiophene-2-carbonyl)piperazine
CID 694533
N-(2-hydroxyphenyl)-4-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]butanamide
CID 1584589
N-(2-Hydroxy-phenyl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1584588
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-hydroxyphenyl)piperazin-1-yl)propan-1-one
CID 10831313
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 44393415
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155526424
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 24978654

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 25331871) is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)s1.
What is the InChIKey of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is XHTAWUFYLNVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-6-7-16(25-13)18(24)19-12-17(23)21-10-8-20(9-11-21)14-4-2-3-5-15(14)22/h2-7,22H,8-12H2,1H3,(H,19,24).
What are the key properties of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25331871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).