N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C26H30N4O2S — CID 55849696

IUPACN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)s1
InChIInChI=1S/C26H30N4O2S/c1-20-7-12-24(33-20)26(32)27-17-25(31)28-23-10-8-22(9-11-23)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyAKSGGZGOIPZAIZ-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.74
Rot. Bonds8

About N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 55849696) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID55849696
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)s1
InChIInChI=1S/C26H30N4O2S/c1-20-7-12-24(33-20)26(32)27-17-25(31)28-23-10-8-22(9-11-23)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyAKSGGZGOIPZAIZ-UHFFFAOYSA-N
XLogP3.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18157517
N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31196088
4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 55915258
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
N-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46669454
5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide
CID 75462875
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 55849696) is N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)s1.
What is the InChIKey of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AKSGGZGOIPZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-20-7-12-24(33-20)26(32)27-17-25(31)28-23-10-8-22(9-11-23)19-30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55849696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).