2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide

C28H32N4O2S4 — CID 168975865

IUPAC2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(CC(=O)N(Cc2cccs2)Cc2cccs2)CC1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C28H32N4O2S4/c33-27(31(17-23-5-1-13-35-23)18-24-6-2-14-36-24)21-29-9-11-30(12-10-29)22-28(34)32(19-25-7-3-15-37-25)20-26-8-4-16-38-26/h1-8,13-16H,9-12,17-22H2
InChIKeyWLJPSOQDQLDPQE-UHFFFAOYSA-N
MW584.86 g/mol
LogP5.31
Rot. Bonds12

About 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide

2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide (PubChem CID 168975865) has the molecular formula C28H32N4O2S4 and a molecular weight of 584.86 g/mol. Its IUPAC name is 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
PubChem CID168975865
Molecular FormulaC28H32N4O2S4
Molecular Weight584.86 g/mol
Exact Mass584.14
IUPAC Name2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(CC(=O)N(Cc2cccs2)Cc2cccs2)CC1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C28H32N4O2S4/c33-27(31(17-23-5-1-13-35-23)18-24-6-2-14-36-24)21-29-9-11-30(12-10-29)22-28(34)32(19-25-7-3-15-37-25)20-26-8-4-16-38-26/h1-8,13-16H,9-12,17-22H2
InChIKeyWLJPSOQDQLDPQE-UHFFFAOYSA-N
XLogP5.31
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.86
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 60546547
N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55362422
2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 111489412
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115873504
methyl 1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60642529
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide (CID 168975865) is 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(CC(=O)N(Cc2cccs2)Cc2cccs2)CC1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide?
The InChIKey is WLJPSOQDQLDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S4/c33-27(31(17-23-5-1-13-35-23)18-24-6-2-14-36-24)21-29-9-11-30(12-10-29)22-28(34)32(19-25-7-3-15-37-25)20-26-8-4-16-38-26/h1-8,13-16H,9-12,17-22H2.
What are the key properties of 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide?
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide has a molecular weight of 584.86 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 168975865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).