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

C19H23N3O3S — CID 29260837

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H23N3O3S/c1-14-7-8-17(26-14)19(24)20-13-18(23)22-11-9-21(10-12-22)15-5-3-4-6-16(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,24)
InChIKeyBKXIDCOECVBKCA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.14
Rot. Bonds5

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 29260837) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID29260837
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H23N3O3S/c1-14-7-8-17(26-14)19(24)20-13-18(23)22-11-9-21(10-12-22)15-5-3-4-6-16(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,24)
InChIKeyBKXIDCOECVBKCA-UHFFFAOYSA-N
XLogP2.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 70091931
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 18146017

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 29260837) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is BKXIDCOECVBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-7-8-17(26-14)19(24)20-13-18(23)22-11-9-21(10-12-22)15-5-3-4-6-16(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 29260837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).