2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C20H23N3O6S — CID 5169577

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O6S/c24-20(13-21-12-15-1-6-18-19(11-15)29-14-28-18)22-16-2-4-17(5-3-16)30(25,26)23-7-9-27-10-8-23/h1-6,11,21H,7-10,12-14H2,(H,22,24)
InChIKeyHPHKHSNWCFGOPW-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.16
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 5169577) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID5169577
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O6S/c24-20(13-21-12-15-1-6-18-19(11-15)29-14-28-18)22-16-2-4-17(5-3-16)30(25,26)23-7-9-27-10-8-23/h1-6,11,21H,7-10,12-14H2,(H,22,24)
InChIKeyHPHKHSNWCFGOPW-UHFFFAOYSA-N
XLogP1.16
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066698
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
CID 162418217
N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
CID 43816680
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1251736
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
2-(1,3-benzodioxol-5-ylmethylamino)-N-[4-(diethylamino)phenyl]acetamide
CID 108998771
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554821
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 5169577) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CNCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is HPHKHSNWCFGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c24-20(13-21-12-15-1-6-18-19(11-15)29-14-28-18)22-16-2-4-17(5-3-16)30(25,26)23-7-9-27-10-8-23/h1-6,11,21H,7-10,12-14H2,(H,22,24).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 433.49 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5169577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).