5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid

C18H20N2O6S — CID 171726310

IUPAC5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
SMILESNC(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCCCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c19-18(23)13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-12-2-1-3-17(21)22/h4-11,20H,1-3,12H2,(H2,19,23)(H,21,22)
InChIKeyGCDVZWVGDLEHNJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.11
Rot. Bonds10

About 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid

5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid (PubChem CID 171726310) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
PubChem CID171726310
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
SMILESNC(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCCCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c19-18(23)13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-12-2-1-3-17(21)22/h4-11,20H,1-3,12H2,(H2,19,23)(H,21,22)
InChIKeyGCDVZWVGDLEHNJ-UHFFFAOYSA-N
XLogP2.11
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
6-[(4-methoxyphenyl)sulfonylamino]-4-oxohexanoic acid
CID 18725228

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The IUPAC name of 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid (CID 171726310) is 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The canonical SMILES for 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid is NC(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCCCC(=O)O)cc2)cc1.
What is the InChIKey of 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The InChIKey is GCDVZWVGDLEHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c19-18(23)13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-12-2-1-3-17(21)22/h4-11,20H,1-3,12H2,(H2,19,23)(H,21,22).
What are the key properties of 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid?
5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid has a molecular weight of 392.43 g/mol, XLogP of 2.11, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 171726310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).