N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide

C16H19N3O5S2 — CID 110408312

IUPACN-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-13(20)18-14-7-9-16(10-8-14)26(23,24)17-11-12-25(21,22)19-15-5-3-2-4-6-15/h2-10,17,19H,11-12H2,1H3,(H,18,20)
InChIKeySHFRNNXIGZIXCE-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.37
Rot. Bonds8

About N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 110408312) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
PubChem CID110408312
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-13(20)18-14-7-9-16(10-8-14)26(23,24)17-11-12-25(21,22)19-15-5-3-2-4-6-15/h2-10,17,19H,11-12H2,1H3,(H,18,20)
InChIKeySHFRNNXIGZIXCE-UHFFFAOYSA-N
XLogP1.37
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
CID 110601397
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
2-[(4-acetamidophenyl)sulfamoyl]acetic acid
CID 28774285
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide (CID 110408312) is N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCS(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is SHFRNNXIGZIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-13(20)18-14-7-9-16(10-8-14)26(23,24)17-11-12-25(21,22)19-15-5-3-2-4-6-15/h2-10,17,19H,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110408312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).