(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide

C17H24FN3O4S — CID 125179762

IUPAC(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide
SMILESCC[C@]1(C(N)=O)CCCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C17H24FN3O4S/c1-3-17(16(19)23)7-4-8-21(11-17)15(22)10-20-26(24,25)14-6-5-13(18)9-12(14)2/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyZHMPWTCPOLEULL-KRWDZBQOSA-N
MW385.46 g/mol
LogP0.92
Rot. Bonds6

About (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide

(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide (PubChem CID 125179762) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide
PubChem CID125179762
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide
SMILESCC[C@]1(C(N)=O)CCCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C17H24FN3O4S/c1-3-17(16(19)23)7-4-8-21(11-17)15(22)10-20-26(24,25)14-6-5-13(18)9-12(14)2/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyZHMPWTCPOLEULL-KRWDZBQOSA-N
XLogP0.92
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide 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

N-[2-[(3R)-3-cyanopiperidin-1-yl]-2-oxoethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 124848961
N-[2-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-2-oxoethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 133118449
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
ethyl (3S)-1-(2-acetamidoacetyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 25368919
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149357
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,4-dimethylbenzenesulfonamide
CID 112994205
1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide
CID 118761223
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide (CID 125179762) is (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide is CC[C@]1(C(N)=O)CCCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2C)C1.
What is the InChIKey of (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide?
The InChIKey is ZHMPWTCPOLEULL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-3-17(16(19)23)7-4-8-21(11-17)15(22)10-20-26(24,25)14-6-5-13(18)9-12(14)2/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H2,19,23)/t17-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide?
(3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 125179762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).