N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C21H25N3O6S — CID 43057770

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-29-14-20(25)23-16-6-3-7-17(12-16)24-21(26)15-5-2-9-19(11-15)31(27,28)22-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyHJHBMNJXAFOZTI-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.98
Rot. Bonds9

About N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43057770) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43057770
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-29-14-20(25)23-16-6-3-7-17(12-16)24-21(26)15-5-2-9-19(11-15)31(27,28)22-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyHJHBMNJXAFOZTI-UHFFFAOYSA-N
XLogP1.98
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43057770) is N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COCC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is HJHBMNJXAFOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-29-14-20(25)23-16-6-3-7-17(12-16)24-21(26)15-5-2-9-19(11-15)31(27,28)22-13-18-8-4-10-30-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 447.51 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43057770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).