N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide

C21H26N2O5S — CID 1287099

IUPACN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccccc2)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O5S/c1-16-12-19(22-29(25,26)15-18-6-4-3-5-7-18)13-17(2)21(16)28-14-20(24)23-8-10-27-11-9-23/h3-7,12-13,22H,8-11,14-15H2,1-2H3
InChIKeyVMCSNFUSPHGSAI-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.48
Rot. Bonds7

About N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide

N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide (PubChem CID 1287099) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide
PubChem CID1287099
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccccc2)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O5S/c1-16-12-19(22-29(25,26)15-18-6-4-3-5-7-18)13-17(2)21(16)28-14-20(24)23-8-10-27-11-9-23/h3-7,12-13,22H,8-11,14-15H2,1-2H3
InChIKeyVMCSNFUSPHGSAI-UHFFFAOYSA-N
XLogP2.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide (CID 1287099) is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide is Cc1cc(NS(=O)(=O)Cc2ccccc2)cc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is VMCSNFUSPHGSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16-12-19(22-29(25,26)15-18-6-4-3-5-7-18)13-17(2)21(16)28-14-20(24)23-8-10-27-11-9-23/h3-7,12-13,22H,8-11,14-15H2,1-2H3.
What are the key properties of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide?
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 1287099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).