N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

C14H21FN2O4S — CID 5181222

IUPACN-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O4S/c1-3-21-10-4-9-16-14(18)11(2)17-22(19,20)13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyGOKKOBXMNYHBEF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.04
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 5181222) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID5181222
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC NameN-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O4S/c1-3-21-10-4-9-16-14(18)11(2)17-22(19,20)13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyGOKKOBXMNYHBEF-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
4-[[1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 71848474
4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 97000634
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (CID 5181222) is N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is CCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is GOKKOBXMNYHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-3-21-10-4-9-16-14(18)11(2)17-22(19,20)13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 5181222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).