4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C21H30N4OS — CID 3245574

IUPAC4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C21H30N4OS/c1-16(22-21(26)17-7-9-18(10-8-17)23(2)3)20(19-6-5-15-27-19)25-13-11-24(4)12-14-25/h5-10,15-16,20H,11-14H2,1-4H3,(H,22,26)
InChIKeyNHVDLBBYJCPHOE-UHFFFAOYSA-N
MW386.57 g/mol
LogP2.92
Rot. Bonds6

About 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 3245574) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID3245574
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C21H30N4OS/c1-16(22-21(26)17-7-9-18(10-8-17)23(2)3)20(19-6-5-15-27-19)25-13-11-24(4)12-14-25/h5-10,15-16,20H,11-14H2,1-4H3,(H,22,26)
InChIKeyNHVDLBBYJCPHOE-UHFFFAOYSA-N
XLogP2.92
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 3245574) is 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is CC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is NHVDLBBYJCPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-16(22-21(26)17-7-9-18(10-8-17)23(2)3)20(19-6-5-15-27-19)25-13-11-24(4)12-14-25/h5-10,15-16,20H,11-14H2,1-4H3,(H,22,26).
What are the key properties of 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 386.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 3245574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).