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

C22H30N2O3S — CID 16892921

IUPAC1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O3S/c1-19-9-5-6-12-21(19)18-28(25,26)23-13-7-8-14-24-15-16-27-22(17-24)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3
InChIKeyRKZJNUUWRBIHQT-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.27
Rot. Bonds9

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

1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide (PubChem CID 16892921) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
PubChem CID16892921
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H30N2O3S/c1-19-9-5-6-12-21(19)18-28(25,26)23-13-7-8-14-24-15-16-27-22(17-24)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3
InChIKeyRKZJNUUWRBIHQT-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892924
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
CID 51866730
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide (CID 16892921) is 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
The InChIKey is RKZJNUUWRBIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-19-9-5-6-12-21(19)18-28(25,26)23-13-7-8-14-24-15-16-27-22(17-24)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide?
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide is sourced from PubChem (CID 16892921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).