N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide

C22H23N3O3S — CID 121084567

IUPACN-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-18(26)24-20-10-12-22(13-11-20)29(27,28)25(17-21-9-5-6-15-23-21)16-14-19-7-3-2-4-8-19/h2-13,15H,14,16-17H2,1H3,(H,24,26)
InChIKeyDAQJQWBBEDYGAG-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.47
Rot. Bonds8

About N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide

N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide (PubChem CID 121084567) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
PubChem CID121084567
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-18(26)24-20-10-12-22(13-11-20)29(27,28)25(17-21-9-5-6-15-23-21)16-14-19-7-3-2-4-8-19/h2-13,15H,14,16-17H2,1H3,(H,24,26)
InChIKeyDAQJQWBBEDYGAG-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113055265
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 1120654
ethyl 4-[[(4-acetamidophenyl)sulfonyl-(2-phenylethyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091980
4-(2-chloroethyl)-N-(3-methoxypropyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 4209599
4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71796625
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide (CID 121084567) is N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1.
What is the InChIKey of N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DAQJQWBBEDYGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-18(26)24-20-10-12-22(13-11-20)29(27,28)25(17-21-9-5-6-15-23-21)16-14-19-7-3-2-4-8-19/h2-13,15H,14,16-17H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide?
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 121084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).