N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide

C19H24N4O6S2 — CID 2179183

IUPACN-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-13(23-31(28,29)19-10-6-17(7-11-19)22-15(3)25)12-20-30(26,27)18-8-4-16(5-9-18)21-14(2)24/h4-11,13,20,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyKBSBXDPVYYKTQR-ZDUSSCGKSA-N
MW468.56 g/mol
LogP1.25
Rot. Bonds9

About N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide (PubChem CID 2179183) has the molecular formula C19H24N4O6S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
PubChem CID2179183
Molecular FormulaC19H24N4O6S2
Molecular Weight468.56 g/mol
Exact Mass468.11
IUPAC NameN-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-13(23-31(28,29)19-10-6-17(7-11-19)22-15(3)25)12-20-30(26,27)18-8-4-16(5-9-18)21-14(2)24/h4-11,13,20,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyKBSBXDPVYYKTQR-ZDUSSCGKSA-N
XLogP1.25
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
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-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide (CID 2179183) is N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide?
The InChIKey is KBSBXDPVYYKTQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O6S2/c1-13(23-31(28,29)19-10-6-17(7-11-19)22-15(3)25)12-20-30(26,27)18-8-4-16(5-9-18)21-14(2)24/h4-11,13,20,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide has a molecular weight of 468.56 g/mol, XLogP of 1.25, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2179183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).