(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

C17H21N3O3S — CID 134189929

IUPAC(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyFCCWXNXBNGXOKV-INIZCTEOSA-N
MW347.44 g/mol
LogP1.93
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (PubChem CID 134189929) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
PubChem CID134189929
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyFCCWXNXBNGXOKV-INIZCTEOSA-N
XLogP1.93
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-hydroxy-2-(4-pyridin-4-ylbenzyl)-1,2-thiazinane-3-carboxamide 1,1-dioxide
CID 9998685
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7h
CID 44520904
Sulfonamide deriv., 7i
CID 44520905
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
5-Isopropyl-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 747990
[(3,4-Dimethylphenyl)sulfonyl](4-pyridylmethyl)amine
CID 794433
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
3,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1075099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (CID 134189929) is (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The InChIKey is FCCWXNXBNGXOKV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide has a molecular weight of 347.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is sourced from PubChem (CID 134189929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).