2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide

C17H29N3OS — CID 16931406

IUPAC2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide
SMILESCCC(CC)C(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C17H29N3OS/c1-4-14(5-2)17(21)18-12-16(15-6-11-22-13-15)20-9-7-19(3)8-10-20/h6,11,13-14,16H,4-5,7-10,12H2,1-3H3,(H,18,21)
InChIKeyKNBLBPMPTZUCHD-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.59
Rot. Bonds7

About 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide

2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide (PubChem CID 16931406) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide
PubChem CID16931406
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide
SMILESCCC(CC)C(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C17H29N3OS/c1-4-14(5-2)17(21)18-12-16(15-6-11-22-13-15)20-9-7-19(3)8-10-20/h6,11,13-14,16H,4-5,7-10,12H2,1-3H3,(H,18,21)
InChIKeyKNBLBPMPTZUCHD-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide (CID 16931406) is 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide is CCC(CC)C(=O)NCC(c1ccsc1)N1CCN(C)CC1.
What is the InChIKey of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide?
The InChIKey is KNBLBPMPTZUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-14(5-2)17(21)18-12-16(15-6-11-22-13-15)20-9-7-19(3)8-10-20/h6,11,13-14,16H,4-5,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide?
2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide has a molecular weight of 323.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]butanamide is sourced from PubChem (CID 16931406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).