N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C23H31N3O3S2 — CID 55837426

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(c3cccs3)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H31N3O3S2/c1-18-8-10-20(11-9-18)31(28,29)26-14-12-25(13-15-26)17-22(27)24-23(19-5-2-3-6-19)21-7-4-16-30-21/h4,7-11,16,19,23H,2-3,5-6,12-15,17H2,1H3,(H,24,27)
InChIKeyDPSNKXYZNLIKNT-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.41
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55837426) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55837426
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(c3cccs3)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H31N3O3S2/c1-18-8-10-20(11-9-18)31(28,29)26-14-12-25(13-15-26)17-22(27)24-23(19-5-2-3-6-19)21-7-4-16-30-21/h4,7-11,16,19,23H,2-3,5-6,12-15,17H2,1H3,(H,24,27)
InChIKeyDPSNKXYZNLIKNT-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 98314213
N-(1-cyclopropylethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411673
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745531
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51484712
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55680186
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119451054
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
N-(4-ethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112822855
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451053
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 55837426) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(c3cccs3)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DPSNKXYZNLIKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c1-18-8-10-20(11-9-18)31(28,29)26-14-12-25(13-15-26)17-22(27)24-23(19-5-2-3-6-19)21-7-4-16-30-21/h4,7-11,16,19,23H,2-3,5-6,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 461.65 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55837426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).