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

C18H26N4O5S — CID 2815598

IUPACN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H26N4O5S/c1-15(23)19-16-2-4-17(5-3-16)28(25,26)22-8-6-20(7-9-22)14-18(24)21-10-12-27-13-11-21/h2-5H,6-14H2,1H3,(H,19,23)
InChIKeyKLWQWCDCQYPXFT-UHFFFAOYSA-N
MW410.50 g/mol
LogP-0.19
Rot. Bonds5

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

N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2815598) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2815598
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC NameN-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H26N4O5S/c1-15(23)19-16-2-4-17(5-3-16)28(25,26)22-8-6-20(7-9-22)14-18(24)21-10-12-27-13-11-21/h2-5H,6-14H2,1H3,(H,19,23)
InChIKeyKLWQWCDCQYPXFT-UHFFFAOYSA-N
XLogP-0.19
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2815598) is N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is KLWQWCDCQYPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-15(23)19-16-2-4-17(5-3-16)28(25,26)22-8-6-20(7-9-22)14-18(24)21-10-12-27-13-11-21/h2-5H,6-14H2,1H3,(H,19,23).
What are the key properties of N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2815598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).