(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide

C14H21FN2O3S — CID 40612538

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10(2)16-14(18)11(3)17-21(19,20)13-8-6-12(15)7-9-13/h6-11,17H,4-5H2,1-3H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyYBKMWJGWWQEDGR-MNOVXSKESA-N
MW316.40 g/mol
LogP1.80
Rot. Bonds7

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide (PubChem CID 40612538) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
PubChem CID40612538
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10(2)16-14(18)11(3)17-21(19,20)13-8-6-12(15)7-9-13/h6-11,17H,4-5H2,1-3H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyYBKMWJGWWQEDGR-MNOVXSKESA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide (CID 40612538) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide is CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide?
The InChIKey is YBKMWJGWWQEDGR-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-4-5-10(2)16-14(18)11(3)17-21(19,20)13-8-6-12(15)7-9-13/h6-11,17H,4-5H2,1-3H3,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide is sourced from PubChem (CID 40612538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).