2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C19H28N2O4S — CID 3149553

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H28N2O4S/c22-19(20-14-17-10-7-13-25-17)15-21(16-8-3-1-4-9-16)26(23,24)18-11-5-2-6-12-18/h2,5-6,11-12,16-17H,1,3-4,7-10,13-15H2,(H,20,22)
InChIKeyXLYKMZRLQVGOCV-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.31
Rot. Bonds7

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3149553) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3149553
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H28N2O4S/c22-19(20-14-17-10-7-13-25-17)15-21(16-8-3-1-4-9-16)26(23,24)18-11-5-2-6-12-18/h2,5-6,11-12,16-17H,1,3-4,7-10,13-15H2,(H,20,22)
InChIKeyXLYKMZRLQVGOCV-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3149553) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XLYKMZRLQVGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-19(20-14-17-10-7-13-25-17)15-21(16-8-3-1-4-9-16)26(23,24)18-11-5-2-6-12-18/h2,5-6,11-12,16-17H,1,3-4,7-10,13-15H2,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3149553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).