4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid

C15H20FN3O6S — CID 122076915

IUPAC4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20FN3O6S/c16-12-4-3-11(18-15(22)17-5-1-2-14(20)21)10-13(12)26(23,24)19-6-8-25-9-7-19/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,17,18,22)
InChIKeyWPDZGCZAJUBZRX-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.83
Rot. Bonds7

About 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid

4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid (PubChem CID 122076915) has the molecular formula C15H20FN3O6S and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid
PubChem CID122076915
Molecular FormulaC15H20FN3O6S
Molecular Weight389.41 g/mol
Exact Mass389.11
IUPAC Name4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20FN3O6S/c16-12-4-3-11(18-15(22)17-5-1-2-14(20)21)10-13(12)26(23,24)19-6-8-25-9-7-19/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,17,18,22)
InChIKeyWPDZGCZAJUBZRX-UHFFFAOYSA-N
XLogP0.83
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.83
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

2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974368
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid (CID 122076915) is 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid?
The InChIKey is WPDZGCZAJUBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O6S/c16-12-4-3-11(18-15(22)17-5-1-2-14(20)21)10-13(12)26(23,24)19-6-8-25-9-7-19/h3-4,10H,1-2,5-9H2,(H,20,21)(H2,17,18,22).
What are the key properties of 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid?
4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid has a molecular weight of 389.41 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122076915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).