2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

C22H23ClN4O2S2 — CID 46568036

IUPAC2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C22H23ClN4O2S2/c23-18-4-2-1-3-16(18)19-6-5-15(31-19)13-26-8-10-27(11-9-26)14-20(28)25-22-17(21(24)29)7-12-30-22/h1-7,12H,8-11,13-14H2,(H2,24,29)(H,25,28)
InChIKeyXJJMWULXZPOLTN-UHFFFAOYSA-N
MW475.04 g/mol
LogP3.99
Rot. Bonds7

About 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 46568036) has the molecular formula C22H23ClN4O2S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID46568036
Molecular FormulaC22H23ClN4O2S2
Molecular Weight475.04 g/mol
Exact Mass474.10
IUPAC Name2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C22H23ClN4O2S2/c23-18-4-2-1-3-16(18)19-6-5-15(31-19)13-26-8-10-27(11-9-26)14-20(28)25-22-17(21(24)29)7-12-30-22/h1-7,12H,8-11,13-14H2,(H2,24,29)(H,25,28)
InChIKeyXJJMWULXZPOLTN-UHFFFAOYSA-N
XLogP3.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.04
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036269
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 36875697
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
7-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42948142
2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135911040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 46568036) is 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1.
What is the InChIKey of 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XJJMWULXZPOLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S2/c23-18-4-2-1-3-16(18)19-6-5-15(31-19)13-26-8-10-27(11-9-26)14-20(28)25-22-17(21(24)29)7-12-30-22/h1-7,12H,8-11,13-14H2,(H2,24,29)(H,25,28).
What are the key properties of 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 475.04 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 46568036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).