N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide

C18H21N3O4S — CID 2692792

IUPACN-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNS(=O)(=O)c1ccc(OCC)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-4-25-17-8-10-18(11-9-17)26(23,24)21-20-13(2)15-6-5-7-16(12-15)19-14(3)22/h5-12,20-21H,2,4H2,1,3H3,(H,19,22)
InChIKeyBMSQUQAWMIJHMW-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.50
Rot. Bonds8

About N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide

N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide (PubChem CID 2692792) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide
PubChem CID2692792
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNS(=O)(=O)c1ccc(OCC)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-4-25-17-8-10-18(11-9-17)26(23,24)21-20-13(2)15-6-5-7-16(12-15)19-14(3)22/h5-12,20-21H,2,4H2,1,3H3,(H,19,22)
InChIKeyBMSQUQAWMIJHMW-UHFFFAOYSA-N
XLogP2.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1272823
N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 8624005
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
3-[2-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid
CID 25358850
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide (CID 2692792) is N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide is C=C(NNS(=O)(=O)c1ccc(OCC)cc1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide?
The InChIKey is BMSQUQAWMIJHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-4-25-17-8-10-18(11-9-17)26(23,24)21-20-13(2)15-6-5-7-16(12-15)19-14(3)22/h5-12,20-21H,2,4H2,1,3H3,(H,19,22).
What are the key properties of N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide?
N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 2692792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).