3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C26H27N3O5S — CID 55631501

IUPAC3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-18-8-10-21(16-23(18)28-25(30)20-6-4-3-5-7-20)26(31)27-22-11-9-19(2)24(17-22)35(32,33)29-12-14-34-15-13-29/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyUUXNMJSXDWOCQA-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.83
Rot. Bonds6

About 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 55631501) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID55631501
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-18-8-10-21(16-23(18)28-25(30)20-6-4-3-5-7-20)26(31)27-22-11-9-19(2)24(17-22)35(32,33)29-12-14-34-15-13-29/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyUUXNMJSXDWOCQA-UHFFFAOYSA-N
XLogP3.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9183599
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850934

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 55631501) is 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is UUXNMJSXDWOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-18-8-10-21(16-23(18)28-25(30)20-6-4-3-5-7-20)26(31)27-22-11-9-19(2)24(17-22)35(32,33)29-12-14-34-15-13-29/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55631501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).