N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C26H28N2O4S — CID 25163174

IUPACN-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C26H28N2O4S/c1-20-7-6-10-24(17-20)28(19-22-8-4-3-5-9-22)26(29)23-12-11-21(2)25(18-23)33(30,31)27-13-15-32-16-14-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyYNKJJBMJVIMZGI-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 25163174) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID25163174
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C26H28N2O4S/c1-20-7-6-10-24(17-20)28(19-22-8-4-3-5-9-22)26(29)23-12-11-21(2)25(18-23)33(30,31)27-13-15-32-16-14-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyYNKJJBMJVIMZGI-UHFFFAOYSA-N
XLogP4.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
CID 30797429
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
(4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2496345
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 37483746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 25163174) is N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YNKJJBMJVIMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-20-7-6-10-24(17-20)28(19-22-8-4-3-5-9-22)26(29)23-12-11-21(2)25(18-23)33(30,31)27-13-15-32-16-14-27/h3-12,17-18H,13-16,19H2,1-2H3.
What are the key properties of N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 25163174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).