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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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
2-((4-(1,1-Dimethylethyl)benzoyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxamide
CID 984977
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635

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).