[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid

C16H20N3O7PS — CID 46865260

IUPAC[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid
SMILESN[C@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H20N3O7PS/c17-12(10-18-16(20)27(21,22)23)11-19-28(24,25)15-8-6-14(7-9-15)26-13-4-2-1-3-5-13/h1-9,12,19H,10-11,17H2,(H,18,20)(H2,21,22,23)/t12-/m1/s1
InChIKeyNIIGYLADEADHLF-GFCCVEGCSA-N
MW429.39 g/mol
LogP0.97
Rot. Bonds9

About [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid

[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid (PubChem CID 46865260) has the molecular formula C16H20N3O7PS and a molecular weight of 429.39 g/mol. Its IUPAC name is [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid.

Molecular Properties

Compound Name[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid
PubChem CID46865260
Molecular FormulaC16H20N3O7PS
Molecular Weight429.39 g/mol
Exact Mass429.08
IUPAC Name[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid
SMILESN[C@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H20N3O7PS/c17-12(10-18-16(20)27(21,22)23)11-19-28(24,25)15-8-6-14(7-9-15)26-13-4-2-1-3-5-13/h1-9,12,19H,10-11,17H2,(H,18,20)(H2,21,22,23)/t12-/m1/s1
InChIKeyNIIGYLADEADHLF-GFCCVEGCSA-N
XLogP0.97
TPSA168.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid
CID 46865154
1-di(propan-2-yloxy)phosphoryl-N-[(2S)-2-[methyl(phenylmethoxy)amino]-3-[(4-phenoxyphenyl)sulfonylamino]propyl]formamide
CID 87126886
[1-[[hydroxy(propan-2-yloxy)phosphoryl]carbonyl-propan-2-ylamino]-3-[(4-phenoxyphenyl)sulfonylamino]propan-2-yl]carbamic acid
CID 87126912
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
3-[(4-phenoxyphenyl)sulfonylamino]pentan-3-ylphosphonic acid
CID 70104609
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60618856
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
N-[(2S)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-4-phenoxybenzenesulfonamide
CID 69367910
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid?
The IUPAC name of [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid (CID 46865260) is [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid.
What is the SMILES notation for [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid?
The canonical SMILES for [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid is N[C@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid?
The InChIKey is NIIGYLADEADHLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N3O7PS/c17-12(10-18-16(20)27(21,22)23)11-19-28(24,25)15-8-6-14(7-9-15)26-13-4-2-1-3-5-13/h1-9,12,19H,10-11,17H2,(H,18,20)(H2,21,22,23)/t12-/m1/s1.
What are the key properties of [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid?
[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid has a molecular weight of 429.39 g/mol, XLogP of 0.97, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid is sourced from PubChem (CID 46865260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).