N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide

C19H20N2O6S — CID 55859557

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2c1OCO2
InChIInChI=1S/C19H20N2O6S/c22-19(16-2-1-3-17-18(16)27-13-26-17)20-12-14-4-6-15(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22)
InChIKeyRXWHYDWMQPBNPQ-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.37
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide (PubChem CID 55859557) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
PubChem CID55859557
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2c1OCO2
InChIInChI=1S/C19H20N2O6S/c22-19(16-2-1-3-17-18(16)27-13-26-17)20-12-14-4-6-15(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22)
InChIKeyRXWHYDWMQPBNPQ-UHFFFAOYSA-N
XLogP1.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171983012
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide (CID 55859557) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2c1OCO2.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is RXWHYDWMQPBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(16-2-1-3-17-18(16)27-13-26-17)20-12-14-4-6-15(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55859557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).