N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide

C24H25N3O2S — CID 1191510

IUPACN-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide
SMILESCCN1CCN(C(=O)c2c(-c3ccccc3)csc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2S/c1-2-26-13-15-27(16-14-26)24(29)21-20(18-9-5-3-6-10-18)17-30-23(21)25-22(28)19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3,(H,25,28)
InChIKeyBNPDGJJVRVGEOK-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.45
Rot. Bonds5

About N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide

N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide (PubChem CID 1191510) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide
PubChem CID1191510
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide
SMILESCCN1CCN(C(=O)c2c(-c3ccccc3)csc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2S/c1-2-26-13-15-27(16-14-26)24(29)21-20(18-9-5-3-6-10-18)17-30-23(21)25-22(28)19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3,(H,25,28)
InChIKeyBNPDGJJVRVGEOK-UHFFFAOYSA-N
XLogP4.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide (CID 1191510) is N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide is CCN1CCN(C(=O)c2c(-c3ccccc3)csc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide?
The InChIKey is BNPDGJJVRVGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-2-26-13-15-27(16-14-26)24(29)21-20(18-9-5-3-6-10-18)17-30-23(21)25-22(28)19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide?
N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide has a molecular weight of 419.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide is sourced from PubChem (CID 1191510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).