N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

C26H27N3O5S — CID 55571075

IUPACN-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C26H27N3O5S/c30-25(18-34-24-16-7-6-15-23(24)19-9-2-1-3-10-19)27-28-26(31)20-11-8-14-22(17-20)35(32,33)29-21-12-4-5-13-21/h1-3,6-11,14-17,21,29H,4-5,12-13,18H2,(H,27,30)(H,28,31)
InChIKeyQIECXSFJAGKLEP-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.41
Rot. Bonds8

About N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 55571075) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID55571075
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C26H27N3O5S/c30-25(18-34-24-16-7-6-15-23(24)19-9-2-1-3-10-19)27-28-26(31)20-11-8-14-22(17-20)35(32,33)29-21-12-4-5-13-21/h1-3,6-11,14-17,21,29H,4-5,12-13,18H2,(H,27,30)(H,28,31)
InChIKeyQIECXSFJAGKLEP-UHFFFAOYSA-N
XLogP3.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55377531
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N-(4-methoxyphenyl)-N-methyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 4841287
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
CID 55585755
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27698212

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 55571075) is N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is QIECXSFJAGKLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c30-25(18-34-24-16-7-6-15-23(24)19-9-2-1-3-10-19)27-28-26(31)20-11-8-14-22(17-20)35(32,33)29-21-12-4-5-13-21/h1-3,6-11,14-17,21,29H,4-5,12-13,18H2,(H,27,30)(H,28,31).
What are the key properties of N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55571075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).