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

C12H17FN2O3S — CID 100782888

IUPAC(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-3-14-12(16)8-11(15-19(2,17)18)9-4-6-10(13)7-5-9/h4-7,11,15H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyHUKQLFBXEUCFDX-NSHDSACASA-N
MW288.34 g/mol
LogP0.94
Rot. Bonds6

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

(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100782888) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100782888
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-3-14-12(16)8-11(15-19(2,17)18)9-4-6-10(13)7-5-9/h4-7,11,15H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyHUKQLFBXEUCFDX-NSHDSACASA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783250
(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
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
CID 133255204
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (CID 100782888) is (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is CCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is HUKQLFBXEUCFDX-NSHDSACASA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-3-14-12(16)8-11(15-19(2,17)18)9-4-6-10(13)7-5-9/h4-7,11,15H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 288.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100782888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).