2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

C16H25FN2O5S — CID 43890659

IUPAC2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H25FN2O5S/c1-11(2)24-9-5-8-18-16(20)12(3)19-25(21,22)15-10-13(17)6-7-14(15)23-4/h6-7,10-12,19H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyYZUMKDCLWCHDHX-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.43
Rot. Bonds10

About 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 43890659) has the molecular formula C16H25FN2O5S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID43890659
Molecular FormulaC16H25FN2O5S
Molecular Weight376.45 g/mol
Exact Mass376.15
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H25FN2O5S/c1-11(2)24-9-5-8-18-16(20)12(3)19-25(21,22)15-10-13(17)6-7-14(15)23-4/h6-7,10-12,19H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyYZUMKDCLWCHDHX-UHFFFAOYSA-N
XLogP1.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (CID 43890659) is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide is COc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is YZUMKDCLWCHDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O5S/c1-11(2)24-9-5-8-18-16(20)12(3)19-25(21,22)15-10-13(17)6-7-14(15)23-4/h6-7,10-12,19H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 376.45 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 43890659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).