(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

C15H23FN2O4S — CID 100783250

IUPAC(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-3-22-10-4-9-17-15(19)11-14(18-23(2,20)21)12-5-7-13(16)8-6-12/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyDFOKIIZSRFYCCY-AWEZNQCLSA-N
MW346.42 g/mol
LogP1.35
Rot. Bonds10

About (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783250) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783250
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-3-22-10-4-9-17-15(19)11-14(18-23(2,20)21)12-5-7-13(16)8-6-12/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyDFOKIIZSRFYCCY-AWEZNQCLSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.35
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

(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3S)-N-butyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783583
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 133255472
(3S)-N-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782912
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
CID 133255076
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (CID 100783250) is (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is CCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is DFOKIIZSRFYCCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-3-22-10-4-9-17-15(19)11-14(18-23(2,20)21)12-5-7-13(16)8-6-12/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 346.42 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).