2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide

C14H21N3O3S — CID 9236234

IUPAC2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H21N3O3S/c1-4-13(11(2)3)16-17-14(18)10-15-21(19,20)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,17,18)/b16-13-
InChIKeyNMXXEZBOXFNJJH-SSZFMOIBSA-N
MW311.41 g/mol
LogP1.50
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide (PubChem CID 9236234) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
PubChem CID9236234
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H21N3O3S/c1-4-13(11(2)3)16-17-14(18)10-15-21(19,20)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,17,18)/b16-13-
InChIKeyNMXXEZBOXFNJJH-SSZFMOIBSA-N
XLogP1.50
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonamido)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 9237631
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
CID 135557531
2-(benzenesulfonamido)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 9236586
2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
CID 9237180
2-(benzenesulfonamido)-N-[(Z)-1-(3-chlorophenyl)ethylideneamino]acetamide
CID 9236360
N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 5053878
2-[[2-(benzenesulfonamido)acetyl]-methylamino]propanoic acid
CID 62627987
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
2-(benzenesulfonamido)-N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9237733
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide (CID 9236234) is 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide is CC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide?
The InChIKey is NMXXEZBOXFNJJH-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-13(11(2)3)16-17-14(18)10-15-21(19,20)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,17,18)/b16-13-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide is sourced from PubChem (CID 9236234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).