2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide

C19H27ClN2O4S — CID 3146228

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C19H27ClN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23)
InChIKeyJASLJZLUVXUQAB-UHFFFAOYSA-N
MW414.96 g/mol
LogP2.96
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3146228) has the molecular formula C19H27ClN2O4S and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3146228
Molecular FormulaC19H27ClN2O4S
Molecular Weight414.96 g/mol
Exact Mass414.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C19H27ClN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23)
InChIKeyJASLJZLUVXUQAB-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3146228) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JASLJZLUVXUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 414.96 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3146228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).