3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide

C20H25N3O4S — CID 4157842

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16-5-7-19(8-6-16)28(25,26)22-18-4-2-3-17(15-18)20(24)21-9-10-23-11-13-27-14-12-23/h2-8,15,22H,9-14H2,1H3,(H,21,24)
InChIKeyGJVICVRYJBWAOS-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.86
Rot. Bonds7

About 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide

3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4157842) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4157842
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16-5-7-19(8-6-16)28(25,26)22-18-4-2-3-17(15-18)20(24)21-9-10-23-11-13-27-14-12-23/h2-8,15,22H,9-14H2,1H3,(H,21,24)
InChIKeyGJVICVRYJBWAOS-UHFFFAOYSA-N
XLogP1.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042647
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 121042646
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 121042642
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 4157842) is 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3CCOCC3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is GJVICVRYJBWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-16-5-7-19(8-6-16)28(25,26)22-18-4-2-3-17(15-18)20(24)21-9-10-23-11-13-27-14-12-23/h2-8,15,22H,9-14H2,1H3,(H,21,24).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4157842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).