N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C19H26N4O3S2 — CID 56523305

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C19H26N4O3S2/c1-15(21-28(25,26)18-8-5-13-27-18)19(24)20-14-16-6-3-4-7-17(16)23-11-9-22(2)10-12-23/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,20,24)
InChIKeyZCYFDMTXLDKABK-UHFFFAOYSA-N
MW422.58 g/mol
LogP1.48
Rot. Bonds7

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 56523305) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID56523305
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C19H26N4O3S2/c1-15(21-28(25,26)18-8-5-13-27-18)19(24)20-14-16-6-3-4-7-17(16)23-11-9-22(2)10-12-23/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,20,24)
InChIKeyZCYFDMTXLDKABK-UHFFFAOYSA-N
XLogP1.48
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911991
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60556598
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
2-[2-(thiophen-2-ylsulfonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196202
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422656
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110351772
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 56523305) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1N1CCN(C)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is ZCYFDMTXLDKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-15(21-28(25,26)18-8-5-13-27-18)19(24)20-14-16-6-3-4-7-17(16)23-11-9-22(2)10-12-23/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,20,24).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 422.58 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 56523305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).