(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide

C17H21N3O4S2 — CID 40713383

IUPAC(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O4S2/c1-24-16-9-8-13(12-18-16)19-17(21)15(10-11-25-2)20-26(22,23)14-6-4-3-5-7-14/h3-9,12,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyGXBIENLKTMDGBX-HNNXBMFYSA-N
MW395.51 g/mol
LogP2.13
Rot. Bonds9

About (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide

(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 40713383) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID40713383
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O4S2/c1-24-16-9-8-13(12-18-16)19-17(21)15(10-11-25-2)20-26(22,23)14-6-4-3-5-7-14/h3-9,12,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyGXBIENLKTMDGBX-HNNXBMFYSA-N
XLogP2.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide with MolForge

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Related Compounds

2-(benzenesulfonamido)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methylsulfanylbutanamide
CID 55626826
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 55343823
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573534
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
methyl 2-[[3-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]benzoyl]amino]acetate
CID 55962404
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060
N-[2-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]ethyl]-4-methoxybenzamide
CID 55960223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide (CID 40713383) is (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide is COc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is GXBIENLKTMDGBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-24-16-9-8-13(12-18-16)19-17(21)15(10-11-25-2)20-26(22,23)14-6-4-3-5-7-14/h3-9,12,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 395.51 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 40713383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).