3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide

C19H23N3O5S — CID 32636101

IUPAC3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-2-27-16-6-8-17(9-7-16)28(25,26)22-11-10-18(23)21-13-14-4-3-5-15(12-14)19(20)24/h3-9,12,22H,2,10-11,13H2,1H3,(H2,20,24)(H,21,23)
InChIKeyNHWQYALIGLOQQK-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.17
Rot. Bonds10

About 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide

3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide (PubChem CID 32636101) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
PubChem CID32636101
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-2-27-16-6-8-17(9-7-16)28(25,26)22-11-10-18(23)21-13-14-4-3-5-15(12-14)19(20)24/h3-9,12,22H,2,10-11,13H2,1H3,(H2,20,24)(H,21,23)
InChIKeyNHWQYALIGLOQQK-UHFFFAOYSA-N
XLogP1.17
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55805473
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 55641527
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide?
The IUPAC name of 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide (CID 32636101) is 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide.
What is the SMILES notation for 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide?
The canonical SMILES for 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide?
The InChIKey is NHWQYALIGLOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-2-27-16-6-8-17(9-7-16)28(25,26)22-11-10-18(23)21-13-14-4-3-5-15(12-14)19(20)24/h3-9,12,22H,2,10-11,13H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide?
3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.17, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide is sourced from PubChem (CID 32636101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).