N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide

C20H25N3O5S — CID 126143054

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25N3O5S/c1-6-17(15-9-12-18(27-3)19(13-15)28-4)21-22-20(24)14-7-10-16(11-8-14)23(2)29(5,25)26/h7-13H,6H2,1-5H3,(H,22,24)/b21-17-
InChIKeyVGDVDKGKRWHPAX-FXBPSFAMSA-N
MW419.50 g/mol
LogP2.64
Rot. Bonds8

About N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 126143054) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID126143054
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25N3O5S/c1-6-17(15-9-12-18(27-3)19(13-15)28-4)21-22-20(24)14-7-10-16(11-8-14)23(2)29(5,25)26/h7-13H,6H2,1-5H3,(H,22,24)/b21-17-
InChIKeyVGDVDKGKRWHPAX-FXBPSFAMSA-N
XLogP2.64
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4562303
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126149335
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 28588318
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide (CID 126143054) is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide is CC/C(=N/NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is VGDVDKGKRWHPAX-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-6-17(15-9-12-18(27-3)19(13-15)28-4)21-22-20(24)14-7-10-16(11-8-14)23(2)29(5,25)26/h7-13H,6H2,1-5H3,(H,22,24)/b21-17-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 126143054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).