N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide

C18H31N3OS — CID 3237871

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H31N3OS/c1-5-20-8-10-21(11-9-20)18(16-7-6-12-23-16)15(4)19-17(22)13-14(2)3/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeySPVUOUFZMMDTEC-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.98
Rot. Bonds7

About N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide (PubChem CID 3237871) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide
PubChem CID3237871
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H31N3OS/c1-5-20-8-10-21(11-9-20)18(16-7-6-12-23-16)15(4)19-17(22)13-14(2)3/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeySPVUOUFZMMDTEC-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide (CID 3237871) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide is CCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide?
The InChIKey is SPVUOUFZMMDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c1-5-20-8-10-21(11-9-20)18(16-7-6-12-23-16)15(4)19-17(22)13-14(2)3/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide has a molecular weight of 337.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 3237871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).