2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide

C25H26ClN3O3S — CID 55734096

IUPAC2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O3S/c1-18-17-22(27-24(30)20-9-5-6-10-21(20)26)33-23(18)25(31)29-13-11-28(12-14-29)15-16-32-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,27,30)
InChIKeyTVELFXLKSRRNDO-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.80
Rot. Bonds7

About 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide

2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 55734096) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID55734096
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC Name2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O3S/c1-18-17-22(27-24(30)20-9-5-6-10-21(20)26)33-23(18)25(31)29-13-11-28(12-14-29)15-16-32-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,27,30)
InChIKeyTVELFXLKSRRNDO-UHFFFAOYSA-N
XLogP4.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55820854
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 18204303
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
CID 55789182
(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55826065
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide (CID 55734096) is 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is TVELFXLKSRRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-18-17-22(27-24(30)20-9-5-6-10-21(20)26)33-23(18)25(31)29-13-11-28(12-14-29)15-16-32-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,27,30).
What are the key properties of 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide has a molecular weight of 484.02 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 55734096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).