3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide

C22H21N3O4S — CID 55787755

IUPAC3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cn2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-5-10-19(11-6-15)29-21-12-9-18(14-23-21)24-22(26)16-3-2-4-20(13-16)30(27,28)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3,(H,24,26)
InChIKeyHGURBZGECJSJKG-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.88
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide

3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide (PubChem CID 55787755) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
PubChem CID55787755
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cn2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-5-10-19(11-6-15)29-21-12-9-18(14-23-21)24-22(26)16-3-2-4-20(13-16)30(27,28)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3,(H,24,26)
InChIKeyHGURBZGECJSJKG-UHFFFAOYSA-N
XLogP3.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
2-[[6-[4-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602689
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37040498
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 86846328
5-(ethylsulfamoyl)-2-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55971765
3-[[5-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-pyridinyl]oxy]benzamide
CID 71701978
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55787848

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide (CID 55787755) is 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cn2)cc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide?
The InChIKey is HGURBZGECJSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-5-10-19(11-6-15)29-21-12-9-18(14-23-21)24-22(26)16-3-2-4-20(13-16)30(27,28)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3,(H,24,26).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 55787755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).