4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide

C22H28N2O4S — CID 29373491

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-14-24(15-5-2)22(26)20-8-6-18(7-9-20)16-23-29(27,28)21-12-10-19(11-13-21)17(3)25/h6-13,23H,4-5,14-16H2,1-3H3
InChIKeyTYZBERJQWKUYOL-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.63
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide (PubChem CID 29373491) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
PubChem CID29373491
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-14-24(15-5-2)22(26)20-8-6-18(7-9-20)16-23-29(27,28)21-12-10-19(11-13-21)17(3)25/h6-13,23H,4-5,14-16H2,1-3H3
InChIKeyTYZBERJQWKUYOL-UHFFFAOYSA-N
XLogP3.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 24548150
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N,N-bis(2-methylpropyl)benzamide
CID 20854207
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide (CID 29373491) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide?
The InChIKey is TYZBERJQWKUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-14-24(15-5-2)22(26)20-8-6-18(7-9-20)16-23-29(27,28)21-12-10-19(11-13-21)17(3)25/h6-13,23H,4-5,14-16H2,1-3H3.
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide is sourced from PubChem (CID 29373491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).