N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

C25H25N3O6S — CID 55377531

IUPACN-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C25H25N3O6S/c1-33-22-14-11-18(15-23(22)35(31,32)28-19-12-13-19)25(30)27-26-24(29)16-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-11,14-15,19,28H,12-13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyMUAXTZUNLNDJSE-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.64
Rot. Bonds9

About N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 55377531) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID55377531
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC NameN-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C25H25N3O6S/c1-33-22-14-11-18(15-23(22)35(31,32)28-19-12-13-19)25(30)27-26-24(29)16-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-11,14-15,19,28H,12-13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyMUAXTZUNLNDJSE-UHFFFAOYSA-N
XLogP2.64
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55571075
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
N-cyclopropyl-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-2-methoxybenzenesulfonamide
CID 55455159
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 55377531) is N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is COc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is MUAXTZUNLNDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-33-22-14-11-18(15-23(22)35(31,32)28-19-12-13-19)25(30)27-26-24(29)16-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-11,14-15,19,28H,12-13,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 495.56 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55377531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).