2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium

C19H25N4O4S+ — CID 9154417

IUPAC2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N4O4S/c1-23(2)12-11-21-18(24)19(25)22-14-17(15-7-6-10-20-13-15)28(26,27)16-8-4-3-5-9-16/h3-10,13,17H,11-12,14H2,1-2H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1
InChIKeyUYLDMPGVWXOKAK-KRWDZBQOSA-O
MW405.50 g/mol
LogP-1.03
Rot. Bonds8

About 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium

2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium (PubChem CID 9154417) has the molecular formula C19H25N4O4S+ and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
PubChem CID9154417
Molecular FormulaC19H25N4O4S+
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC Name2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N4O4S/c1-23(2)12-11-21-18(24)19(25)22-14-17(15-7-6-10-20-13-15)28(26,27)16-8-4-3-5-9-16/h3-10,13,17H,11-12,14H2,1-2H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1
InChIKeyUYLDMPGVWXOKAK-KRWDZBQOSA-O
XLogP-1.03
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium with MolForge

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Related Compounds

2-[[2-[[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154426
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
CID 9154296
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
CID 9154333
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium (CID 9154417) is 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?
The InChIKey is UYLDMPGVWXOKAK-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H24N4O4S/c1-23(2)12-11-21-18(24)19(25)22-14-17(15-7-6-10-20-13-15)28(26,27)16-8-4-3-5-9-16/h3-10,13,17H,11-12,14H2,1-2H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1.
What are the key properties of 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?
2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium has a molecular weight of 405.50 g/mol, XLogP of -1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 9154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).