N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide

C17H19N3O4S — CID 70284914

IUPACN-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-13(21)20-25(23,24)16-9-5-8-15(12-16)19-17(22)18-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeySHKIIUDEUFHVCH-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.88
Rot. Bonds6

About N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide

N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide (PubChem CID 70284914) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
PubChem CID70284914
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-13(21)20-25(23,24)16-9-5-8-15(12-16)19-17(22)18-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeySHKIIUDEUFHVCH-UHFFFAOYSA-N
XLogP1.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
CID 86986671
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
CID 139878374
1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051820
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
benzyl N-[3-(phenylcarbamoylsulfamoyl)phenyl]carbamate
CID 139878379

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide?
The IUPAC name of N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide (CID 70284914) is N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide?
The canonical SMILES for N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1cccc(NC(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide?
The InChIKey is SHKIIUDEUFHVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13(21)20-25(23,24)16-9-5-8-15(12-16)19-17(22)18-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide?
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide has a molecular weight of 361.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide is sourced from PubChem (CID 70284914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).