N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide

C29H29N2O3PS — CID 101213453

IUPACN-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide
SMILESC[C@@H](CS(=O)(=O)NCc1ccccc1)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N2O3PS/c1-23(22-36(33,34)30-21-24-13-5-2-6-14-24)31-29(32)27-19-11-12-20-28(27)35(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,23,30H,21-22H2,1H3,(H,31,32)/t23-/m0/s1
InChIKeyRGCUPBWGULXGQI-QHCPKHFHSA-N
MW516.60 g/mol
LogP3.68
Rot. Bonds10

About N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide

N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide (PubChem CID 101213453) has the molecular formula C29H29N2O3PS and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide
PubChem CID101213453
Molecular FormulaC29H29N2O3PS
Molecular Weight516.60 g/mol
Exact Mass516.16
IUPAC NameN-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide
SMILESC[C@@H](CS(=O)(=O)NCc1ccccc1)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N2O3PS/c1-23(22-36(33,34)30-21-24-13-5-2-6-14-24)31-29(32)27-19-11-12-20-28(27)35(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,23,30H,21-22H2,1H3,(H,31,32)/t23-/m0/s1
InChIKeyRGCUPBWGULXGQI-QHCPKHFHSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
2-diphenylphosphanyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-[(2-diphenylphosphanylbenzoyl)amino]-3-methylbutyl]amino]cyclohexyl]amino]-3-methylbutan-2-yl]benzamide
CID 11593126
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
benzylsulfamic acid;ethane
CID 154691965
3-[3-[(2-methylpropylsulfonylamino)methyl]phenyl]prop-2-enoic acid
CID 77045144
1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
CID 139968155
[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
CID 88589569
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide?
The IUPAC name of N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide (CID 101213453) is N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide.
What is the SMILES notation for N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide?
The canonical SMILES for N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide is C[C@@H](CS(=O)(=O)NCc1ccccc1)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide?
The InChIKey is RGCUPBWGULXGQI-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H29N2O3PS/c1-23(22-36(33,34)30-21-24-13-5-2-6-14-24)31-29(32)27-19-11-12-20-28(27)35(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,23,30H,21-22H2,1H3,(H,31,32)/t23-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide?
N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide has a molecular weight of 516.60 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide is sourced from PubChem (CID 101213453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).