N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C19H28N2O5S — CID 2981791

IUPACN-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O5S/c1-15-13-17(27(23,24)20-16-5-3-2-4-6-16)7-8-18(15)26-14-19(22)21-9-11-25-12-10-21/h7-8,13,16,20H,2-6,9-12,14H2,1H3
InChIKeyYACIOFCBKYFKNK-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.84
Rot. Bonds6

About N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 2981791) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID2981791
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O5S/c1-15-13-17(27(23,24)20-16-5-3-2-4-6-16)7-8-18(15)26-14-19(22)21-9-11-25-12-10-21/h7-8,13,16,20H,2-6,9-12,14H2,1H3
InChIKeyYACIOFCBKYFKNK-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 2981791) is N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is YACIOFCBKYFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-15-13-17(27(23,24)20-16-5-3-2-4-6-16)7-8-18(15)26-14-19(22)21-9-11-25-12-10-21/h7-8,13,16,20H,2-6,9-12,14H2,1H3.
What are the key properties of N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 2981791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).