2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide

C23H23ClN4O2S — CID 55820854

IUPAC2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O2S/c1-16-13-20(26-22(29)18-6-2-3-7-19(18)24)31-21(16)23(30)28-11-9-27(10-12-28)15-17-5-4-8-25-14-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,29)
InChIKeyMQIOPAWRKJNEQH-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.32
Rot. Bonds5

About 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide

2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 55820854) has the molecular formula C23H23ClN4O2S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID55820854
Molecular FormulaC23H23ClN4O2S
Molecular Weight454.98 g/mol
Exact Mass454.12
IUPAC Name2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O2S/c1-16-13-20(26-22(29)18-6-2-3-7-19(18)24)31-21(16)23(30)28-11-9-27(10-12-28)15-17-5-4-8-25-14-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,29)
InChIKeyMQIOPAWRKJNEQH-UHFFFAOYSA-N
XLogP4.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096
(3-methyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483189
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55830537
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
(2-iodophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572564
(4-chloro-1-methylpyrrol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56810688
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108542
2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232
(3-phenylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134045017
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide (CID 55820854) is 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is MQIOPAWRKJNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2S/c1-16-13-20(26-22(29)18-6-2-3-7-19(18)24)31-21(16)23(30)28-11-9-27(10-12-28)15-17-5-4-8-25-14-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide?
2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide has a molecular weight of 454.98 g/mol, XLogP of 4.32, 5 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-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 55820854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).