N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide

C26H27N3O5S — CID 28565234

IUPACN-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O5S/c30-25(22-12-10-21(11-13-22)19-35(32,33)29-14-16-34-17-15-29)28-24-9-5-4-8-23(24)26(31)27-18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,31)(H,28,30)
InChIKeyOKBFGSOVLCSWCX-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.03
Rot. Bonds8

About N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide

N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide (PubChem CID 28565234) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
PubChem CID28565234
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O5S/c30-25(22-12-10-21(11-13-22)19-35(32,33)29-14-16-34-17-15-29)28-24-9-5-4-8-23(24)26(31)27-18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,31)(H,28,30)
InChIKeyOKBFGSOVLCSWCX-UHFFFAOYSA-N
XLogP3.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 46763665
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
N-[2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24553156
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 92672920
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 99960058
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986326
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 46778220
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
1-benzylsulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 28636356

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide (CID 28565234) is N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide?
The InChIKey is OKBFGSOVLCSWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c30-25(22-12-10-21(11-13-22)19-35(32,33)29-14-16-34-17-15-29)28-24-9-5-4-8-23(24)26(31)27-18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide?
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 28565234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).