(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide

C20H26N4O6S2 — CID 24560457

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H26N4O6S2/c1-14(24-32(29,30)19-10-8-18(9-11-19)23-15(2)25)20(26)22-12-16-6-4-5-7-17(16)13-31(27,28)21-3/h4-11,14,21,24H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyLVPNQYROHLTFHP-AWEZNQCLSA-N
MW482.58 g/mol
LogP0.68
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 24560457) has the molecular formula C20H26N4O6S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID24560457
Molecular FormulaC20H26N4O6S2
Molecular Weight482.58 g/mol
Exact Mass482.13
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H26N4O6S2/c1-14(24-32(29,30)19-10-8-18(9-11-19)23-15(2)25)20(26)22-12-16-6-4-5-7-17(16)13-31(27,28)21-3/h4-11,14,21,24H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyLVPNQYROHLTFHP-AWEZNQCLSA-N
XLogP0.68
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
CID 24513086
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide (CID 24560457) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is LVPNQYROHLTFHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O6S2/c1-14(24-32(29,30)19-10-8-18(9-11-19)23-15(2)25)20(26)22-12-16-6-4-5-7-17(16)13-31(27,28)21-3/h4-11,14,21,24H,12-13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 482.58 g/mol, XLogP of 0.68, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 24560457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).