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

C26H27N3O5S — CID 55635484

IUPAC3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-19-7-10-22(17-24(19)28-26(31)21-5-3-2-4-6-21)25(30)27-18-20-8-11-23(12-9-20)35(32,33)29-13-15-34-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyFUVKNZYQJWZNJN-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.20
Rot. Bonds7

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

3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (PubChem CID 55635484) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
PubChem CID55635484
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-19-7-10-22(17-24(19)28-26(31)21-5-3-2-4-6-21)25(30)27-18-20-8-11-23(12-9-20)35(32,33)29-13-15-34-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyFUVKNZYQJWZNJN-UHFFFAOYSA-N
XLogP3.20
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (CID 55635484) is 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is FUVKNZYQJWZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-19-7-10-22(17-24(19)28-26(31)21-5-3-2-4-6-21)25(30)27-18-20-8-11-23(12-9-20)35(32,33)29-13-15-34-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.20, 7 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-morpholin-4-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 55635484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).