N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide

C22H27N3O5S — CID 43040270

IUPACN-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)18-9-5-7-16(13-18)21(26)24-20-11-4-3-10-19(20)22(27)23-14-17-8-6-12-30-17/h3-5,7,9-11,13,15,17,25H,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySIMYBFCFIXHUET-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.53
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide

N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 43040270) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
PubChem CID43040270
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)18-9-5-7-16(13-18)21(26)24-20-11-4-3-10-19(20)22(27)23-14-17-8-6-12-30-17/h3-5,7,9-11,13,15,17,25H,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySIMYBFCFIXHUET-UHFFFAOYSA-N
XLogP2.53
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321471
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide (CID 43040270) is N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is SIMYBFCFIXHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)18-9-5-7-16(13-18)21(26)24-20-11-4-3-10-19(20)22(27)23-14-17-8-6-12-30-17/h3-5,7,9-11,13,15,17,25H,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 43040270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).