(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide

C15H16FN3O3S — CID 95312921

IUPAC(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESNC(=O)[C@H](CNS(=O)(=O)c1cccnc1)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c16-13-5-3-11(4-6-13)8-12(15(17)20)9-19-23(21,22)14-2-1-7-18-10-14/h1-7,10,12,19H,8-9H2,(H2,17,20)/t12-/m0/s1
InChIKeyKUVXQDYGHQOFFB-LBPRGKRZSA-N
MW337.38 g/mol
LogP0.84
Rot. Bonds7

About (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide

(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 95312921) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID95312921
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESNC(=O)[C@H](CNS(=O)(=O)c1cccnc1)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c16-13-5-3-11(4-6-13)8-12(15(17)20)9-19-23(21,22)14-2-1-7-18-10-14/h1-7,10,12,19H,8-9H2,(H2,17,20)/t12-/m0/s1
InChIKeyKUVXQDYGHQOFFB-LBPRGKRZSA-N
XLogP0.84
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
CID 95789189
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 43461535
2-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-3-pyridin-3-ylpropanoic acid
CID 146081413
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
CID 97076543
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473
2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453986
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 95312921) is (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide is NC(=O)[C@H](CNS(=O)(=O)c1cccnc1)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is KUVXQDYGHQOFFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-13-5-3-11(4-6-13)8-12(15(17)20)9-19-23(21,22)14-2-1-7-18-10-14/h1-7,10,12,19H,8-9H2,(H2,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 337.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 95312921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).