N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide

C20H27N3O4S — CID 123344533

IUPACN'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide
SMILESCOc1cc(OC)cc(/C(=C/CN(C)C)NNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H27N3O4S/c1-15-6-8-19(9-7-15)28(24,25)22-21-20(10-11-23(2)3)16-12-17(26-4)14-18(13-16)27-5/h6-10,12-14,21-22H,11H2,1-5H3/b20-10-
InChIKeyKGNMEESEWCSEFO-JMIUGGIZSA-N
MW405.52 g/mol
LogP2.40
Rot. Bonds9

About N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide

N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide (PubChem CID 123344533) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide
PubChem CID123344533
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide
SMILESCOc1cc(OC)cc(/C(=C/CN(C)C)NNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H27N3O4S/c1-15-6-8-19(9-7-15)28(24,25)22-21-20(10-11-23(2)3)16-12-17(26-4)14-18(13-16)27-5/h6-10,12-14,21-22H,11H2,1-5H3/b20-10-
InChIKeyKGNMEESEWCSEFO-JMIUGGIZSA-N
XLogP2.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134934643
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
N-bis[2-(4-methylphenyl)sulfonylhydrazinyl]phosphoryl-3-methoxybenzamide
CID 21238898
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
CID 5477861
1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
CID 47425131
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668
3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291148

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide (CID 123344533) is N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide is COc1cc(OC)cc(/C(=C/CN(C)C)NNS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The InChIKey is KGNMEESEWCSEFO-JMIUGGIZSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-15-6-8-19(9-7-15)28(24,25)22-21-20(10-11-23(2)3)16-12-17(26-4)14-18(13-16)27-5/h6-10,12-14,21-22H,11H2,1-5H3/b20-10-.
What are the key properties of N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide has a molecular weight of 405.52 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 123344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).