4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

C18H22N2O2S — CID 4927369

IUPAC4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccsc1C=NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)8-10-22-16-6-4-15(5-7-16)18(21)20-19-12-17-14(3)9-11-23-17/h4-7,9,11-13H,8,10H2,1-3H3,(H,20,21)
InChIKeyWXYDJXRHIMPTCF-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.25
Rot. Bonds7

About 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 4927369) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID4927369
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccsc1C=NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)8-10-22-16-6-4-15(5-7-16)18(21)20-19-12-17-14(3)9-11-23-17/h4-7,9,11-13H,8,10H2,1-3H3,(H,20,21)
InChIKeyWXYDJXRHIMPTCF-UHFFFAOYSA-N
XLogP4.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
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

4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6031116
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927415
4-iodo-3-methoxy-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 3431071
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (CID 4927369) is 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccsc1C=NNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is WXYDJXRHIMPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)8-10-22-16-6-4-15(5-7-16)18(21)20-19-12-17-14(3)9-11-23-17/h4-7,9,11-13H,8,10H2,1-3H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 330.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4927369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).