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

C14H21FN2O4S — CID 17192241

IUPACN-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O4S/c1-2-21-11-3-9-16-14(18)8-10-17-22(19,20)13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyXFCYQMJHWTUHNF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.04
Rot. Bonds10

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

N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 17192241) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID17192241
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC NameN-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O4S/c1-2-21-11-3-9-16-14(18)8-10-17-22(19,20)13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyXFCYQMJHWTUHNF-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 17192241) is N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is CCOCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is XFCYQMJHWTUHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-2-21-11-3-9-16-14(18)8-10-17-22(19,20)13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).