2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

C14H20N4O4S — CID 135822145

IUPAC2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N/NC(=O)CNS(=O)(=O)N(C)C)c1O
InChIInChI=1S/C14H20N4O4S/c1-4-6-11-7-5-8-12(14(11)20)9-15-17-13(19)10-16-23(21,22)18(2)3/h4-5,7-9,16,20H,1,6,10H2,2-3H3,(H,17,19)/b15-9+
InChIKeyVGNNAYIMAMJFTG-OQLLNIDSSA-N
MW340.41 g/mol
LogP-0.03
Rot. Bonds8

About 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (PubChem CID 135822145) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
PubChem CID135822145
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N/NC(=O)CNS(=O)(=O)N(C)C)c1O
InChIInChI=1S/C14H20N4O4S/c1-4-6-11-7-5-8-12(14(11)20)9-15-17-13(19)10-16-23(21,22)18(2)3/h4-5,7-9,16,20H,1,6,10H2,2-3H3,(H,17,19)/b15-9+
InChIKeyVGNNAYIMAMJFTG-OQLLNIDSSA-N
XLogP-0.03
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615945
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135421756
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136802230
2-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl-methylamino]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135896337
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936942
4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822713

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (CID 135822145) is 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is C=CCc1cccc(/C=N/NC(=O)CNS(=O)(=O)N(C)C)c1O.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The InChIKey is VGNNAYIMAMJFTG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-4-6-11-7-5-8-12(14(11)20)9-15-17-13(19)10-16-23(21,22)18(2)3/h4-5,7-9,16,20H,1,6,10H2,2-3H3,(H,17,19)/b15-9+.
What are the key properties of 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide has a molecular weight of 340.41 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135822145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).