N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide

C20H26N2O3S — CID 110637600

IUPACN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)14-26(23,24)21-19-8-10-20(11-9-19)22-16(2)12-25-13-17(22)3/h4-11,16-17,21H,12-14H2,1-3H3
InChIKeyCEVBOJGTCFHBNS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.55
Rot. Bonds5

About N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110637600) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110637600
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)14-26(23,24)21-19-8-10-20(11-9-19)22-16(2)12-25-13-17(22)3/h4-11,16-17,21H,12-14H2,1-3H3
InChIKeyCEVBOJGTCFHBNS-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide (CID 110637600) is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is CEVBOJGTCFHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)14-26(23,24)21-19-8-10-20(11-9-19)22-16(2)12-25-13-17(22)3/h4-11,16-17,21H,12-14H2,1-3H3.
What are the key properties of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide?
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110637600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).