N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide

C24H27N3OS — CID 60514084

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3sccc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H27N3OS/c1-26-12-14-27(15-13-26)18-20-9-7-19(8-10-20)17-25-24(28)23-22(11-16-29-23)21-5-3-2-4-6-21/h2-11,16H,12-15,17-18H2,1H3,(H,25,28)
InChIKeySJNHSZGROPOAFD-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.09
Rot. Bonds6

About N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 60514084) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
PubChem CID60514084
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3sccc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H27N3OS/c1-26-12-14-27(15-13-26)18-20-9-7-19(8-10-20)17-25-24(28)23-22(11-16-29-23)21-5-3-2-4-6-21/h2-11,16H,12-15,17-18H2,1H3,(H,25,28)
InChIKeySJNHSZGROPOAFD-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
3-methyl-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 51114590
methyl 5-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 47057132
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 119901426
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71583022
1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111636350
(3-phenylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134045017

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide (CID 60514084) is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide is CN1CCN(Cc2ccc(CNC(=O)c3sccc3-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is SJNHSZGROPOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-26-12-14-27(15-13-26)18-20-9-7-19(8-10-20)17-25-24(28)23-22(11-16-29-23)21-5-3-2-4-6-21/h2-11,16H,12-15,17-18H2,1H3,(H,25,28).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 60514084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).