N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide

C11H16N2O5S — CID 66176694

IUPACN-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)CO)cc1
InChIInChI=1S/C11H16N2O5S/c1-8(15)13-9-2-4-11(5-3-9)19(17,18)12-6-10(16)7-14/h2-5,10,12,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyVHERPOXIKHWAMM-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.72
Rot. Bonds6

About N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide

N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide (PubChem CID 66176694) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
PubChem CID66176694
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC NameN-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)CO)cc1
InChIInChI=1S/C11H16N2O5S/c1-8(15)13-9-2-4-11(5-3-9)19(17,18)12-6-10(16)7-14/h2-5,10,12,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyVHERPOXIKHWAMM-UHFFFAOYSA-N
XLogP-0.72
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide (CID 66176694) is N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(O)CO)cc1.
What is the InChIKey of N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is VHERPOXIKHWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(15)13-9-2-4-11(5-3-9)19(17,18)12-6-10(16)7-14/h2-5,10,12,14,16H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide?
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 288.33 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 66176694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).