N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C19H29N3O3S — CID 50820941

IUPACN-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)15-16-26(24,25)21-13-11-20-12-14-21/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyCOUAYLZVNMMBFX-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.70
Rot. Bonds6

About N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide

N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 50820941) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID50820941
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)15-16-26(24,25)21-13-11-20-12-14-21/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyCOUAYLZVNMMBFX-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 50820941) is N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide is O=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is COUAYLZVNMMBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)22(18-9-5-2-6-10-18)15-16-26(24,25)21-13-11-20-12-14-21/h1,3-4,7-8,18,20H,2,5-6,9-16H2.
What are the key properties of N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 50820941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).