2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide

C22H28ClN3O2S — CID 55337540

IUPAC2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC1CCN(C(CNC(=O)C(C)NC(=O)c2ccccc2Cl)c2cccs2)CC1
InChIInChI=1S/C22H28ClN3O2S/c1-15-9-11-26(12-10-15)19(20-8-5-13-29-20)14-24-21(27)16(2)25-22(28)17-6-3-4-7-18(17)23/h3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGHBIFNYABCOLAS-UHFFFAOYSA-N
MW434.01 g/mol
LogP4.11
Rot. Bonds7

About 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 55337540) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID55337540
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC Name2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC1CCN(C(CNC(=O)C(C)NC(=O)c2ccccc2Cl)c2cccs2)CC1
InChIInChI=1S/C22H28ClN3O2S/c1-15-9-11-26(12-10-15)19(20-8-5-13-29-20)14-24-21(27)16(2)25-22(28)17-6-3-4-7-18(17)23/h3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGHBIFNYABCOLAS-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide (CID 55337540) is 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide is CC1CCN(C(CNC(=O)C(C)NC(=O)c2ccccc2Cl)c2cccs2)CC1.
What is the InChIKey of 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is GHBIFNYABCOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2S/c1-15-9-11-26(12-10-15)19(20-8-5-13-29-20)14-24-21(27)16(2)25-22(28)17-6-3-4-7-18(17)23/h3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 434.01 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55337540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).