N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide

C27H30N2O5S — CID 30797429

IUPACN-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C27H30N2O5S/c1-21-7-6-10-24(17-21)29(20-22-8-4-3-5-9-22)27(30)19-23-11-12-25(33-2)26(18-23)35(31,32)28-13-15-34-16-14-28/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyKOAYSFRLOPKOIO-UHFFFAOYSA-N
MW494.61 g/mol
LogP3.80
Rot. Bonds8

About N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide

N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide (PubChem CID 30797429) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
PubChem CID30797429
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC NameN-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C27H30N2O5S/c1-21-7-6-10-24(17-21)29(20-22-8-4-3-5-9-22)27(30)19-23-11-12-25(33-2)26(18-23)35(31,32)28-13-15-34-16-14-28/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyKOAYSFRLOPKOIO-UHFFFAOYSA-N
XLogP3.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide 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

N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 55917319
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
CID 55726301
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide (CID 30797429) is N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide is COc1ccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide?
The InChIKey is KOAYSFRLOPKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-21-7-6-10-24(17-21)29(20-22-8-4-3-5-9-22)27(30)19-23-11-12-25(33-2)26(18-23)35(31,32)28-13-15-34-16-14-28/h3-12,17-18H,13-16,19-20H2,1-2H3.
What are the key properties of N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide?
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide has a molecular weight of 494.61 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 30797429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).