N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide

C26H34N4O3S — CID 46333749

IUPACN-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C26H34N4O3S/c31-26(28-22-7-3-4-8-22)21-10-12-25(30-15-13-27-14-16-30)24(18-21)29-34(32,33)23-11-9-19-5-1-2-6-20(19)17-23/h9-12,17-18,22,27,29H,1-8,13-16H2,(H,28,31)
InChIKeyIHXLRGDKBQPDAB-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.45
Rot. Bonds6

About N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide

N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide (PubChem CID 46333749) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
PubChem CID46333749
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC NameN-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C26H34N4O3S/c31-26(28-22-7-3-4-8-22)21-10-12-25(30-15-13-27-14-16-30)24(18-21)29-34(32,33)23-11-9-19-5-1-2-6-20(19)17-23/h9-12,17-18,22,27,29H,1-8,13-16H2,(H,28,31)
InChIKeyIHXLRGDKBQPDAB-UHFFFAOYSA-N
XLogP3.45
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059449
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
N-butan-2-yl-3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333635
3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-piperazin-1-ylbenzamide
CID 92872241
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059418
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide (CID 46333749) is N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide is O=C(NC1CCCC1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is IHXLRGDKBQPDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c31-26(28-22-7-3-4-8-22)21-10-12-25(30-15-13-27-14-16-30)24(18-21)29-34(32,33)23-11-9-19-5-1-2-6-20(19)17-23/h9-12,17-18,22,27,29H,1-8,13-16H2,(H,28,31).
What are the key properties of N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 482.65 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46333749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).