N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide

C21H25N3O5S — CID 17154597

IUPACN-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H25N3O5S/c25-20(12-13-22-21(26)16-5-2-1-3-6-16)24-17-8-10-19(11-9-17)30(27,28)23-15-18-7-4-14-29-18/h1-3,5-6,8-11,18,23H,4,7,12-15H2,(H,22,26)(H,24,25)
InChIKeyHEBSEHMUFBUZJS-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.90
Rot. Bonds9

About N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide

N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide (PubChem CID 17154597) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
PubChem CID17154597
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H25N3O5S/c25-20(12-13-22-21(26)16-5-2-1-3-6-16)24-17-8-10-19(11-9-17)30(27,28)23-15-18-7-4-14-29-18/h1-3,5-6,8-11,18,23H,4,7,12-15H2,(H,22,26)(H,24,25)
InChIKeyHEBSEHMUFBUZJS-UHFFFAOYSA-N
XLogP1.90
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46655859
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40861903

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide (CID 17154597) is N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide?
The InChIKey is HEBSEHMUFBUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-20(12-13-22-21(26)16-5-2-1-3-6-16)24-17-8-10-19(11-9-17)30(27,28)23-15-18-7-4-14-29-18/h1-3,5-6,8-11,18,23H,4,7,12-15H2,(H,22,26)(H,24,25).
What are the key properties of N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide?
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide has a molecular weight of 431.51 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 17154597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).