N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C21H25N3O5S — CID 18207149

IUPACN-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(25)24-18-9-7-16(8-10-18)13-22-21(26)17-4-2-6-20(12-17)30(27,28)23-14-19-5-3-11-29-19/h2,4,6-10,12,19,23H,3,5,11,13-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyFDUCTNDXLJLNCC-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.03
Rot. Bonds8

About N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 18207149) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID18207149
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(25)24-18-9-7-16(8-10-18)13-22-21(26)17-4-2-6-20(12-17)30(27,28)23-14-19-5-3-11-29-19/h2,4,6-10,12,19,23H,3,5,11,13-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyFDUCTNDXLJLNCC-UHFFFAOYSA-N
XLogP2.03
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 18207149) is N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(=O)Nc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is FDUCTNDXLJLNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(25)24-18-9-7-16(8-10-18)13-22-21(26)17-4-2-6-20(12-17)30(27,28)23-14-19-5-3-11-29-19/h2,4,6-10,12,19,23H,3,5,11,13-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 18207149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).