5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C24H25ClN4O3S — CID 134083164

IUPAC5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1cccs1
InChIInChI=1S/C24H25ClN4O3S/c1-16-20(23(26)31)13-21(29(16)14-19-3-2-12-33-19)22(30)15-27-8-10-28(11-9-27)24(32)17-4-6-18(25)7-5-17/h2-7,12-13H,8-11,14-15H2,1H3,(H2,26,31)
InChIKeyGNOSDXVTJIZEJY-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.30
Rot. Bonds7

About 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 134083164) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID134083164
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1cccs1
InChIInChI=1S/C24H25ClN4O3S/c1-16-20(23(26)31)13-21(29(16)14-19-3-2-12-33-19)22(30)15-27-8-10-28(11-9-27)24(32)17-4-6-18(25)7-5-17/h2-7,12-13H,8-11,14-15H2,1H3,(H2,26,31)
InChIKeyGNOSDXVTJIZEJY-UHFFFAOYSA-N
XLogP3.30
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134083294
4-[2-[4-carbamoyl-5-methyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-oxoethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 134083349
ethyl 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 9431041
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110658667
4-[2-[4-carbamoyl-1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 134083400
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
N-benzyl-4-[2-[4-carbamoyl-1-[(2-fluorophenyl)methyl]-5-methylpyrrol-2-yl]-2-oxoethyl]piperazine-1-carboxamide
CID 134083391
4-[2-[4-carbamoyl-1-[(2-fluorophenyl)methyl]-5-methylpyrrol-2-yl]-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 134083389
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
1-(4-chlorophenyl)-2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110358816
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 134083164) is 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1cccs1.
What is the InChIKey of 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is GNOSDXVTJIZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-16-20(23(26)31)13-21(29(16)14-19-3-2-12-33-19)22(30)15-27-8-10-28(11-9-27)24(32)17-4-6-18(25)7-5-17/h2-7,12-13H,8-11,14-15H2,1H3,(H2,26,31).
What are the key properties of 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134083164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).