1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide

C20H26N2O3S — CID 16892749

IUPAC1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-7-9-18(10-8-17)16-26(23,24)21-11-12-22-13-14-25-20(15-22)19-5-3-2-4-6-19/h2-10,20-21H,11-16H2,1H3
InChIKeyOCABNKMAJBNAJE-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.49
Rot. Bonds7

About 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide

1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide (PubChem CID 16892749) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
PubChem CID16892749
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-7-9-18(10-8-17)16-26(23,24)21-11-12-22-13-14-25-20(15-22)19-5-3-2-4-6-19/h2-10,20-21H,11-16H2,1H3
InChIKeyOCABNKMAJBNAJE-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892924
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide (CID 16892749) is 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide?
The InChIKey is OCABNKMAJBNAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-7-9-18(10-8-17)16-26(23,24)21-11-12-22-13-14-25-20(15-22)19-5-3-2-4-6-19/h2-10,20-21H,11-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide?
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 16892749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).