N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C18H27ClN4O4S — CID 2812251

IUPACN-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C18H27ClN4O4S/c1-15(24)20-18-3-2-16(14-17(18)19)28(25,26)23-8-6-21(7-9-23)4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyCCXNINRRIZCUPB-UHFFFAOYSA-N
MW430.96 g/mol
LogP0.94
Rot. Bonds6

About N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2812251) has the molecular formula C18H27ClN4O4S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2812251
Molecular FormulaC18H27ClN4O4S
Molecular Weight430.96 g/mol
Exact Mass430.14
IUPAC NameN-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C18H27ClN4O4S/c1-15(24)20-18-3-2-16(14-17(18)19)28(25,26)23-8-6-21(7-9-23)4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyCCXNINRRIZCUPB-UHFFFAOYSA-N
XLogP0.94
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2812251) is N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CCXNINRRIZCUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O4S/c1-15(24)20-18-3-2-16(14-17(18)19)28(25,26)23-8-6-21(7-9-23)4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24).
What are the key properties of N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 430.96 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2812251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).