N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide

C22H22N4O4S — CID 164515186

IUPACN-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-2-24-21(27)17-3-7-19(8-4-17)31(29,30)20-9-5-18(6-10-20)26-22(28)25-15-16-11-13-23-14-12-16/h3-14H,2,15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyYTJLQFWUZJEVFR-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide

N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide (PubChem CID 164515186) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
PubChem CID164515186
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-2-24-21(27)17-3-7-19(8-4-17)31(29,30)20-9-5-18(6-10-20)26-22(28)25-15-16-11-13-23-14-12-16/h3-14H,2,15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyYTJLQFWUZJEVFR-UHFFFAOYSA-N
XLogP2.99
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259
1-[4-(3-iodophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222928
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-[(2,6-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778426
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide (CID 164515186) is N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide is CCNC(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The InChIKey is YTJLQFWUZJEVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-2-24-21(27)17-3-7-19(8-4-17)31(29,30)20-9-5-18(6-10-20)26-22(28)25-15-16-11-13-23-14-12-16/h3-14H,2,15H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide has a molecular weight of 438.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 164515186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).