N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide

C17H19N3O2S — CID 39652535

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1
InChIInChI=1S/C17H19N3O2S/c1-19-7-9-20(10-8-19)17(22)14-4-2-3-5-15(14)18-16(21)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,18,21)
InChIKeyKWUWQNSMCMPZFG-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide (PubChem CID 39652535) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
PubChem CID39652535
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1
InChIInChI=1S/C17H19N3O2S/c1-19-7-9-20(10-8-19)17(22)14-4-2-3-5-15(14)18-16(21)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,18,21)
InChIKeyKWUWQNSMCMPZFG-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 55522105
N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55678932
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
3-bromo-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 47047817
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
CID 4935215
3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 30335564
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 4943816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide (CID 39652535) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide is CN1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The InChIKey is KWUWQNSMCMPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19-7-9-20(10-8-19)17(22)14-4-2-3-5-15(14)18-16(21)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 39652535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).